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

Systemtic Name: 2-(4-methoxy-2-tetradecoxy-phenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-methoxy-2-tetradecoxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-methoxy-2-tetradecoxyphenyl)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-methoxy-2-tetradecoxyphenyl)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-methoxy-2-myristyloxy-phenyl)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C33H47BrN2O3S MolecularWeight: 631.70688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-38-32-25-30(37-2)20-19-28(32)24-33(36)34-31-18-15-14-17-29(31)26-35-21-23-39-27-35;/h14-15,17-21,23,25,27H,3-13,16,22,24,26H2,1-2H3;1H