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

Systemtic Name: 4-chloranyl-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide Openeye Name: 4-chloro-N-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide CAS Name: 4-chloro-N-[2-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-tetradecoxybenzamide bromide IUPAC Name: 4-chloro-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxybenzamide bromide Traditional Name: 4-chloro-N-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-myristyloxy-benzamide bromide Formula: C32H44BrClN2O2S MolecularWeight: 636.12596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C)Cl.[Br-]

InChI

InChI=1S/C32H43ClN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-37-31-24-27(19-20-29(31)33)32(36)34-30-18-15-14-17-28(30)25-35-21-23-38-26(35)2;/h14-15,17-21,23-24H,3-13,16,22,25H2,1-2H3;1H