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

Systemtic Name: 3-ethanoyl-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide Openeye Name: 3-acetyl-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide CAS Name: 3-acetyl-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-4-tetradecoxybenzamide bromide IUPAC Name: 3-acetyl-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxybenzamide bromide Traditional Name: 3-acetyl-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-myristyloxy-benzamide bromide Formula: C34H47BrN2O3S MolecularWeight: 643.71758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-33-21-18-30(23-32(33)28(3)37)34(38)35-31-19-16-29(17-20-31)25-36-24-27(2)40-26-36;/h16-21,23-24,26H,4-15,22,25H2,1-3H3;1H