3-ethanoyl-N-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide

Systemtic Name: 3-ethanoyl-N-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide Openeye Name: 3-acetyl-N-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide bromide CAS Name: 3-acetyl-N-[4-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-tetradecoxybenzamide bromide IUPAC Name: 3-acetyl-N-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxybenzamide bromide Traditional Name: 3-acetyl-N-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-myristyloxy-benzamide bromide Formula: C34H47BrN2O3S MolecularWeight: 643.71758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(=O)NC2=CC=C(C=C2)C[N+]3=C(SC=C3)C)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(=O)NC2=CC=C(C=C2)C[N+]3=C(SC=C3)C)C(=O)C.[Br-]

InChI

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