Chemical ID: 6522790

CN(C)c1ccc(cc1)C=C2C(=O)N(C(=O)S2)CC[NH3+]
Chemical ID:
6522790
Name [?]:
2-[5-[(4-dimethylaminophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethylammonium
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N(C(=O)S2)CC[NH3+]
InChi [?]:
InChI=1/C14H17N3O2S/c1-16(2)11-5-3-10(4-6-11)9-12-13(18)17(8-7-15)14(19)20-12/h3-6,9H,7-8,15H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,19,18,10,7,4,11,12,15,20,2,14,13,16,17/E:(1,2)(3,4)(5,6)/rA:20nCNCCCCCCCCCCONCOSCCN+/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N3O2S+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-30.2318
Area:482.638
Solvation:-42.2978
Coulombic:9.75463
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:292.378
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.01
LogP (Chemaxon):1.55

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