4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide

Systemtic Name: 4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide Openeye Name: 4-[(5-methylthiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide CAS Name: 4-[(5-methyl-3-thiazol-3-iumyl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide IUPAC Name: 4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide Traditional Name: 4-[(5-methylthiazol-3-ium-3-yl)methyl]-N-(4-myristyloxybenzyl)benzamide Formula: C33H47N2O2S+ MolecularWeight: 535.80348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-37-32-21-17-29(18-22-32)24-34-33(36)31-19-15-30(16-20-31)26-35-25-28(2)38-27-35/h15-22,25,27H,3-14,23-24,26H2,1-2H3/p+1