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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3C.[Br-]

InChI

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