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

Systemtic Name: 2-(3-methoxy-2-tetradecoxy-phenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-methoxy-2-tetradecoxy-phenyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-methoxy-2-tetradecoxyphenyl)-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-methoxy-2-tetradecoxyphenyl)-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-methoxy-2-myristyloxy-phenyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C33H47BrN2O3S MolecularWeight: 631.70688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C33H46N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-38-33-29(18-16-20-31(33)37-2)25-32(36)34-30-19-15-17-28(24-30)26-35-21-23-39-27-35;/h15-21,23-24,27H,3-14,22,25-26H2,1-2H3;1H