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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3

InChI

InChI=1S/C31H41ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-36-30-28(32)18-15-19-29(30)33-31(35)27-17-14-16-26(23-27)24-34-20-22-37-25-34/h14-20,22-23,25H,2-13,21,24H2,1H3/p+1