[1-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol

Systemtic Name: [1-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Openeye Name: [1-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]-4-piperidyl]methanol CAS Name: [1-[(3S)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]-4-piperidinyl]methanol IUPAC Name: [1-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Traditional Name: [1-[(3S)-1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]-4-piperidyl]methanol Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)N4CCC(CC4)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)N4CCC(CC4)CO

InChI

InChI=1S/C21H30N4O/c26-17-19-8-13-24(14-9-19)21-3-1-11-23(16-21)15-18-4-6-20(7-5-18)25-12-2-10-22-25/h2,4-7,10,12,19,21,26H,1,3,8-9,11,13-17H2/p+1/t21-/m0/s1