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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C.[Br-]

InChI

InChI=1S/C32H43ClN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-37-31-22-28(33)18-19-30(31)32(36)34-29-17-15-16-27(21-29)23-35-25-38-24-26(35)2;/h15-19,21-22,24-25H,3-14,20,23H2,1-2H3;1H