N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2,5-diphenyl-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2,5-diphenyl-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-2,5-diphenyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-2,5-diphenyl-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2,5-diphenylpyrazole-3-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-2,5-diphenyl-pyrazole-3-carboxamide Formula: C27H34N5O+ MolecularWeight: 444.59176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O/c1-30-17-14-23(15-18-30)31-16-8-11-22(20-31)28-27(33)26-19-25(21-9-4-2-5-10-21)29-32(26)24-12-6-3-7-13-24/h2-7,9-10,12-13,19,22-23H,8,11,14-18,20H2,1H3,(H,28,33)/p+1/t22-/m0/s1