[3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(3-oxidanylpropyl)azanium

Systemtic Name: [3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [4-[2-(benzylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(3-hydroxypropyl)ammonium CAS Name: 3-hydroxypropyl-[[3-methoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl]ammonium IUPAC Name: [4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(3-hydroxypropyl)azanium Traditional Name: [4-[2-(benzylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-(3-hydroxypropyl)ammonium Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCO)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCO)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4/c1-25-19-12-17(13-21-10-5-11-23)8-9-18(19)26-15-20(24)22-14-16-6-3-2-4-7-16/h2-4,6-9,12,21,23H,5,10-11,13-15H2,1H3,(H,22,24)/p+1