[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methanone

Systemtic Name: [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methanone Openeye Name: [4-[4-(o-tolyl)-1H-pyrazol-5-yl]-1-piperidyl]-[(3S)-1-pyridin-1-ium-2-yl-3-piperidyl]methanone CAS Name: [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-[(3S)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methanone IUPAC Name: [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methanone Traditional Name: [4-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidino]-[(3S)-1-pyridin-1-ium-2-yl-3-piperidyl]methanone Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCN(CC3)C(=O)C4CCCN(C4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)C3CCN(CC3)C(=O)[C@H]4CCCN(C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H31N5O/c1-19-7-2-3-9-22(19)23-17-28-29-25(23)20-11-15-30(16-12-20)26(32)21-8-6-14-31(18-21)24-10-4-5-13-27-24/h2-5,7,9-10,13,17,20-21H,6,8,11-12,14-16,18H2,1H3,(H,28,29)/p+1/t21-/m0/s1