ethyl 5-(1-methylpiperidin-1-ium-4-yl)carbonyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 5-(1-methylpiperidin-1-ium-4-yl)carbonyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 5-(1-methylpiperidin-1-ium-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-[(1-methyl-4-piperidin-1-iumyl)-oxomethyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-methylpiperidin-1-ium-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-(1-methylpiperidin-1-ium-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3CC[NH+](CC3)C)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3CC[NH+](CC3)C)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3/c1-3-32-25(31)23-21-18-28(24(30)20-11-15-27(2)16-12-20)17-13-22(21)29(26-23)14-7-10-19-8-5-4-6-9-19/h4-6,8-9,20H,3,7,10-18H2,1-2H3/p+1