N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,5-dimethyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-2,5-dimethyl-N-(3-pyridinylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,5-dimethyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)C

InChI

InChI=1S/C23H33N5O/c1-18-14-22(26(2)25-18)23(29)28(17-20-6-5-11-24-15-20)16-19-9-12-27(13-10-19)21-7-3-4-8-21/h5-6,11,14-15,19,21H,3-4,7-10,12-13,16-17H2,1-2H3/p+1