3-imidazol-1-ylpropyl-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[4-[2-keto-2-(p-toluidino)ethoxy]-3-methoxy-benzyl]ammonium Formula: C23H29N4O3+ MolecularWeight: 409.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CCCN3C=CN=C3)OC

InChI

InChI=1S/C23H28N4O3/c1-18-4-7-20(8-5-18)26-23(28)16-30-21-9-6-19(14-22(21)29-2)15-24-10-3-12-27-13-11-25-17-27/h4-9,11,13-14,17,24H,3,10,12,15-16H2,1-2H3,(H,26,28)/p+1