Chemical ID: 6735760

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCC[NH+]3CCCCCC3
Chemical ID:
6735760
Name [?]:
N-[2-(1-azoniacyclohept-1-yl)ethyl]-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCC[NH+]3CCCCCC3
InChi [?]:
InChI=1/C19H27N3O3/c1-15-6-7-17-16(12-15)22(19(24)14-25-17)13-18(23)20-8-11-21-9-4-2-3-5-10-21/h6-7,12H,2-5,8-11,13-14H2,1H3,(H,20,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,3,4,17,20,25,18,7,13,11,2,6,5,14,9,16,19,8,15,10,12/E:(2,3)(4,5)(9,10)/rA:25nCCCCCCCNCOCOCCONCCN+CCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s20;s21;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N3O3+
All Atoms:53
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-19.4073
Area:564.719
Solvation:-33.5253
Coulombic:-15.3654
Bond Count [?]
All:27
Single:22
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.444
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.48
LogP (Chemaxon):1.09

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