1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyridin-3-yl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyridin-3-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-(3-pyridyl)ethanone CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(3-pyridinyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-(3-pyridyl)ethanone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C23H30N4O2/c1-29-22-9-3-2-8-21(22)26-14-12-25(13-15-26)20-7-5-11-27(18-20)23(28)16-19-6-4-10-24-17-19/h2-4,6,8-10,17,20H,5,7,11-16,18H2,1H3/p+1/t20-/m0/s1