3-(4-methylphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-3-(p-tolyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-methylphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-3-(p-tolyl)-1H-pyrazole-5-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3CCCN(C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N[C@H]3CCCN(C3)C4CC[NH+](CC4)C

InChI

InChI=1S/C22H31N5O/c1-16-5-7-17(8-6-16)20-14-21(25-24-20)22(28)23-18-4-3-11-27(15-18)19-9-12-26(2)13-10-19/h5-8,14,18-19H,3-4,9-13,15H2,1-2H3,(H,23,28)(H,24,25)/p+1/t18-/m0/s1