7-[(3R)-3-methylpiperidin-1-yl]carbonyl-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 7-[(3R)-3-methylpiperidin-1-yl]carbonyl-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-[(3R)-3-methylpiperidine-1-carbonyl]-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[[(3R)-3-methyl-1-piperidinyl]-oxomethyl]-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-[(3R)-3-methylpiperidine-1-carbonyl]-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-[(3R)-3-methylpiperidine-1-carbonyl]-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCCC(C4)C

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCC[C@H](C4)C

InChI

InChI=1S/C22H26N4O2/c1-3-11-24-14-18(21(27)25-12-7-8-16(2)13-25)20-19(15-24)22(28)26(23-20)17-9-5-4-6-10-17/h4-6,9-10,14-16H,3,7-8,11-13H2,1-2H3/p+1/t16-/m1/s1