6,7-dimethoxy-2-[1-(3-phenoxypropyl)piperidin-3-yl]-3,4-dihydroisoquinolin-1-one chloride

Systemtic Name: 6,7-dimethoxy-2-[1-(3-phenoxypropyl)piperidin-3-yl]-3,4-dihydroisoquinolin-1-one chloride Openeye Name: 6,7-dimethoxy-2-[1-(3-phenoxypropyl)-3-piperidyl]-3,4-dihydroisoquinolin-1-one chloride CAS Name: 6,7-dimethoxy-2-[1-(3-phenoxypropyl)-3-piperidinyl]-3,4-dihydroisoquinolin-1-one chloride IUPAC Name: 6,7-dimethoxy-2-[1-(3-phenoxypropyl)piperidin-3-yl]-3,4-dihydroisoquinolin-1-one chloride Traditional Name: 6,7-dimethoxy-2-[1-(3-phenoxypropyl)-3-piperidyl]-3,4-dihydroisocarbostyril chloride Formula: C25H32ClN2O4- MolecularWeight: 459.98558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C25H32N2O4.ClH/c1-29-23-16-19-11-14-27(25(28)22(19)17-24(23)30-2)20-8-6-12-26(18-20)13-7-15-31-21-9-4-3-5-10-21;/h3-5,9-10,16-17,20H,6-8,11-15,18H2,1-2H3;1H/p-1