1-(2-methoxyphenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperazine Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H30N4O/c1-27-22-7-3-2-6-21(22)26-15-13-25(14-16-26)20-8-11-24(12-9-20)18-19-5-4-10-23-17-19/h2-7,10,17,20H,8-9,11-16,18H2,1H3/p+1