N-(2-chloranyl-4-tetradecoxy-phenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide

Systemtic Name: N-(2-chloranyl-4-tetradecoxy-phenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Openeye Name: N-(2-chloro-4-tetradecoxy-phenyl)-2-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide CAS Name: N-(2-chloro-4-tetradecoxyphenyl)-2-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide IUPAC Name: N-(2-chloro-4-tetradecoxyphenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Traditional Name: N-(2-chloro-4-myristyloxy-phenyl)-2-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide Formula: C32H44ClN2O2S+ MolecularWeight: 556.22196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C)Cl

InChI

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