2-(2-hexadecoxy-4-methoxy-phenyl)-N-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: 2-(2-hexadecoxy-4-methoxy-phenyl)-N-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(2-hexadecoxy-4-methoxy-phenyl)-N-[4-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(2-hexadecoxy-4-methoxyphenyl)-N-[4-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(2-hexadecoxy-4-methoxyphenyl)-N-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(2-cetyloxy-4-methoxy-phenyl)-N-[4-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C36H53BrN2O3S MolecularWeight: 673.78662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)OC)CC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)OC)CC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3C.[Br-]

InChI

InChI=1S/C36H52N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-41-35-26-34(40-3)23-20-32(35)25-36(39)37-33-21-18-31(19-22-33)27-38-29-42-28-30(38)2;/h18-23,26,28-29H,4-17,24-25,27H2,1-3H3;1H