N-(2-chloranyl-4-tetradecoxy-phenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide

Systemtic Name: N-(2-chloranyl-4-tetradecoxy-phenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide Openeye Name: N-(2-chloro-4-tetradecoxy-phenyl)-2-(thiazol-3-ium-3-ylmethyl)benzamide CAS Name: N-(2-chloro-4-tetradecoxyphenyl)-2-(3-thiazol-3-iumylmethyl)benzamide IUPAC Name: N-(2-chloro-4-tetradecoxyphenyl)-2-(1,3-thiazol-3-ium-3-ylmethyl)benzamide Traditional Name: N-(2-chloro-4-myristyloxy-phenyl)-2-(thiazol-3-ium-3-ylmethyl)benzamide Formula: C31H42ClN2O2S+ MolecularWeight: 542.19538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3)Cl

InChI

InChI=1S/C31H41ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-36-27-18-19-30(29(32)23-27)33-31(35)28-17-14-13-16-26(28)24-34-20-22-37-25-34/h13-14,16-20,22-23,25H,2-12,15,21,24H2,1H3/p+1