1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-[[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-(4-pyrazol-1-ylbenzyl)piperazin-1-ium-1-yl]ethanone Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H31N5O/c1-19-5-2-3-11-26(19)22(28)18-25-15-13-24(14-16-25)17-20-6-8-21(9-7-20)27-12-4-10-23-27/h4,6-10,12,19H,2-3,5,11,13-18H2,1H3/p+1/t19-/m0/s1