N-[(4-hexadecoxyphenyl)methyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide

Systemtic Name: N-[(4-hexadecoxyphenyl)methyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: N-[(4-hexadecoxyphenyl)methyl]-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: N-[(4-hexadecoxyphenyl)methyl]-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[(4-hexadecoxyphenyl)methyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: N-(4-cetyloxybenzyl)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C36H53N2O2S+ MolecularWeight: 577.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC(=C3)C)C(=O)C

InChI

InChI=1S/C36H53N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-40-36-24-20-34(21-25-36)29-38(32(3)39)35-22-18-33(19-23-35)28-37-27-31(2)41-30-37/h18-25,27,30H,4-17,26,28-29H2,1-3H3/q+1