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

Systemtic Name: [1-[(3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Openeye Name: [1-[(3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]-4-piperidyl]methanol CAS Name: [1-[(3S)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]-4-piperidinyl]methanol IUPAC Name: [1-[(3S)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Traditional Name: [1-[(3S)-1-(5-methyl-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]-4-piperidyl]methanol Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCCC(C3)N4CCC(CC4)CO

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC[C@@H](C3)N4CCC(CC4)CO

InChI

InChI=1S/C22H32N4O/c1-18-5-6-22(26-11-3-9-23-26)20(14-18)15-24-10-2-4-21(16-24)25-12-7-19(17-27)8-13-25/h3,5-6,9,11,14,19,21,27H,2,4,7-8,10,12-13,15-17H2,1H3/p+1/t21-/m0/s1