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

Systemtic Name: [3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-pentyl-azanium Openeye Name: [3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl-pentyl-ammonium CAS Name: [3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl-pentylammonium IUPAC Name: [3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl-pentylazanium Traditional Name: amyl-[4-[2-keto-2-(p-toluidino)ethoxy]-3-methoxy-benzyl]ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCCC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C22H30N2O3/c1-4-5-6-13-23-15-18-9-12-20(21(14-18)26-3)27-16-22(25)24-19-10-7-17(2)8-11-19/h7-12,14,23H,4-6,13,15-16H2,1-3H3,(H,24,25)/p+1