2-methoxy-N-[3-[4-[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]benzamide

Systemtic Name: 2-methoxy-N-[3-[4-[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]benzamide Openeye Name: 2-methoxy-N-[3-[4-[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]-1-piperidyl]phenyl]benzamide CAS Name: 2-methoxy-N-[3-[4-[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]benzamide IUPAC Name: 2-methoxy-N-[3-[4-[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]benzamide Traditional Name: 2-methoxy-N-[3-[4-[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]piperidino]phenyl]benzamide Formula: C29H35N4O2+ MolecularWeight: 471.6138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCCC4C5=CC=CC=N5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCC[C@H]4C5=CC=CC=N5

InChI

InChI=1S/C29H34N4O2/c1-35-28-14-3-2-11-25(28)29(34)31-22-9-8-10-24(21-22)32-19-15-23(16-20-32)33-18-7-5-13-27(33)26-12-4-6-17-30-26/h2-4,6,8-12,14,17,21,23,27H,5,7,13,15-16,18-20H2,1H3,(H,31,34)/p+1/t27-/m0/s1