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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-27-22-9-3-2-8-21(22)26-14-12-25(13-15-26)20-7-5-11-24(18-20)17-19-6-4-10-23-16-19/h2-4,6,8-10,16,20H,5,7,11-15,17-18H2,1H3/p+1/t20-/m0/s1