2-(2-chloranyl-4-tetradecoxy-phenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(2-chloranyl-4-tetradecoxy-phenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(2-chloro-4-tetradecoxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(2-chloro-4-tetradecoxyphenyl)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(2-chloro-4-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(2-chloro-4-myristyloxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C32H44BrClN2O2S MolecularWeight: 636.12596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)Cl.[Br-]

InChI

InChI=1S/C32H43ClN2O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-37-29-19-18-27(30(33)24-29)23-32(36)34-31-17-14-13-16-28(31)25-35-20-22-38-26-35;/h13-14,16-20,22,24,26H,2-12,15,21,23,25H2,1H3;1H