(phenylmethyl) 7-[[4-ethoxycarbonyl-1-(1-methylpyridin-1-ium-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 7-[[4-ethoxycarbonyl-1-(1-methylpyridin-1-ium-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 7-[[4-ethoxycarbonyl-1-(1-methylpyridin-1-ium-4-yl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[4-ethoxycarbonyl-1-(1-methyl-4-pyridin-1-iumyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[[4-ethoxycarbonyl-1-(1-methylpyridin-1-ium-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[4-carbethoxy-1-(1-methylpyridin-1-ium-4-yl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C32H38N3O5+ MolecularWeight: 544.66122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=[N+](C=C2)C)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=[N+](C=C2)C)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

InChI

InChI=1S/C32H38N3O5/c1-3-38-30(36)32(14-19-34(20-15-32)28-12-16-33(2)17-13-28)24-40-29-10-9-26-11-18-35(22-27(26)21-29)31(37)39-23-25-7-5-4-6-8-25/h4-10,12-13,16-17,21H,3,11,14-15,18-20,22-24H2,1-2H3/q+1