3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]-1-piperidyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]piperidino]phenyl]methanone Formula: C31H37N4O+ MolecularWeight: 481.65168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CC=CC=N2)C3CCN(CC3)C4=CC=C(C=C4)C(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CC=CC=N2)C3CCN(CC3)C4=CC=C(C=C4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C31H36N4O/c36-31(34-20-15-24-7-1-2-8-26(24)23-34)25-11-13-27(14-12-25)33-21-16-28(17-22-33)35-19-6-4-10-30(35)29-9-3-5-18-32-29/h1-3,5,7-9,11-14,18,28,30H,4,6,10,15-17,19-23H2/p+1/t30-/m0/s1