1-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine

Systemtic Name: 1-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C23H36N5+ MolecularWeight: 382.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H35N5/c1-19(2)15-20-16-21(25-24-20)17-26-10-6-9-23(18-26)28-13-11-27(12-14-28)22-7-4-3-5-8-22/h3-5,7-8,16,19,23H,6,9-15,17-18H2,1-2H3,(H,24,25)/p+1/t23-/m0/s1