methyl (3R)-2-[2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[4-[oxo(1-piperidinyl)methyl]-1-piperidin-1-iumyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C24H33N3O4/c1-31-24(30)21-15-19-7-3-4-8-20(19)16-27(21)22(28)17-25-13-9-18(10-14-25)23(29)26-11-5-2-6-12-26/h3-4,7-8,18,21H,2,5-6,9-17H2,1H3/p+1/t21-/m1/s1