N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-ethyl-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-ethyl-N-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-ethyl-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H35N5O/c1-3-27(24(30)21-17-25-29(19-21)23-7-5-4-6-8-23)18-20-9-15-28(16-10-20)22-11-13-26(2)14-12-22/h4-8,17,19-20,22H,3,9-16,18H2,1-2H3/p+1