4-methoxy-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide

Systemtic Name: 4-methoxy-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide Openeye Name: 4-methoxy-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide CAS Name: 4-methoxy-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-tetradecoxybenzamide bromide IUPAC Name: 4-methoxy-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxybenzamide bromide Traditional Name: 4-methoxy-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-myristyloxy-benzamide bromide Formula: C33H47BrN2O3S MolecularWeight: 631.70688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC(=C3)C)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC(=C3)C)OC.[Br-]

InChI

InChI=1S/C33H46N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-38-32-23-29(18-21-31(32)37-3)33(36)34-30-19-16-28(17-20-30)25-35-24-27(2)39-26-35;/h16-21,23-24,26H,4-15,22,25H2,1-3H3;1H