cyclopropyl-[4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: cyclopropyl-[4-[(3S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: cyclopropyl-[4-[(3S)-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: cyclopropyl-[4-[(3S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: cyclopropyl-[4-[(3S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]piperidino]methanone Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H33N3O2/c28-23(19-7-8-19)25-14-10-22(11-15-25)26-12-3-6-21(17-26)24(29)27-13-9-18-4-1-2-5-20(18)16-27/h1-2,4-5,19,21-22H,3,6-17H2/p+1/t21-/m0/s1