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

Systemtic Name: 3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]aniline Openeye Name: 3-[(5-methylthiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]aniline CAS Name: 3-[(5-methyl-3-thiazol-3-iumyl)methyl]-N-[(4-tetradecoxyphenyl)methyl]aniline IUPAC Name: 3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]aniline Traditional Name: [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-(4-myristyloxybenzyl)amine Formula: C32H47N2OS+ MolecularWeight: 507.79338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CNC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CNC2=CC=CC(=C2)C[N+]3=CSC(=C3)C

InChI

InChI=1S/C32H47N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-35-32-20-18-29(19-21-32)24-33-31-17-15-16-30(23-31)26-34-25-28(2)36-27-34/h15-21,23,25,27,33H,3-14,22,24,26H2,1-2H3/q+1