Chemical ID: 7119641

c1cc2n(c(=O)c1)CC3CC2C[NH+](C3)Cc4ccc5c(c4)OCO5
Chemical ID:
7119641
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2C[NH+](C3)Cc4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C19H20N2O3/c22-19-3-1-2-16-15-6-14(10-21(16)19)9-20(11-15)8-13-4-5-17-18(7-13)24-12-23-17/h1-5,7,14-15H,6,8-12H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,17,18,10,21,15,14,8,12,23,16,9,11,3,19,20,5,13,4,6,24,22/rA:24cCCCNCOCCCCCCN+CCCCCCCCOCO/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N2O3+
All Atoms:45
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:-19.913
Area:478.403
Solvation:-31.8731
Coulombic:-2.97285
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:325.382
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.46
LogP (Chemaxon):1.93

Name Annotations

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Descriptor Annotations

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