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

Systemtic Name: N-[(4-dodecoxyphenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: N-[(4-dodecoxyphenyl)methyl]-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: N-[(4-dodecoxyphenyl)methyl]-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[(4-dodecoxyphenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: N-(4-lauryloxybenzyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C32H45N2O2S+ MolecularWeight: 521.7769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

InChI

InChI=1S/C32H45N2O2S/c1-4-5-6-7-8-9-10-11-12-13-21-36-32-19-17-29(18-20-32)25-34(28(3)35)31-16-14-15-30(22-31)24-33-23-27(2)37-26-33/h14-20,22-23,26H,4-13,21,24-25H2,1-3H3/q+1