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

Systemtic Name: N-[(3-hexadecoxyphenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: N-[(3-hexadecoxyphenyl)methyl]-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: N-[(3-hexadecoxyphenyl)methyl]-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[(3-hexadecoxyphenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: N-(3-cetyloxybenzyl)-N-[3-[(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=CC(=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

Isomeric SMILES

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

InChI

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