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

Systemtic Name: [3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: [3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl-(3-methoxypropyl)ammonium CAS Name: [3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl-(3-methoxypropyl)azanium Traditional Name: [4-[2-keto-2-(p-toluidino)ethoxy]-3-methoxy-benzyl]-(3-methoxypropyl)ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-16-5-8-18(9-6-16)23-21(24)15-27-19-10-7-17(13-20(19)26-3)14-22-11-4-12-25-2/h5-10,13,22H,4,11-12,14-15H2,1-3H3,(H,23,24)/p+1