1-(2-methoxyphenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]piperazine Formula: C22H34N5O+ MolecularWeight: 384.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CCCN4C=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CCCN4C=CC=N4

InChI

InChI=1S/C22H33N5O/c1-28-22-9-3-2-8-21(22)26-17-15-25(16-18-26)20-7-4-11-24(19-20)12-6-14-27-13-5-10-23-27/h2-3,5,8-10,13,20H,4,6-7,11-12,14-19H2,1H3/p+1/t20-/m0/s1