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

Systemtic Name: N-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide Openeye Name: N-[2-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide CAS Name: N-[2-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-tetradecoxybenzamide bromide IUPAC Name: N-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxybenzamide bromide Traditional Name: N-[2-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-myristyloxy-benzamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C[N+]3=CSC=C3C.[Br-]

InChI

InChI=1S/C32H44N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-36-30-20-17-19-28(23-30)32(35)33-31-21-15-14-18-29(31)24-34-26-37-25-27(34)2;/h14-15,17-21,23,25-26H,3-13,16,22,24H2,1-2H3;1H