N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide

Systemtic Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Openeye Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide CAS Name: N-[2-(1-cyclopentyl-4-piperidin-1-iumyl)-3-pyrazolyl]benzamide IUPAC Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Traditional Name: N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H26N4O/c25-20(16-6-2-1-3-7-16)22-19-10-13-21-24(19)18-11-14-23(15-12-18)17-8-4-5-9-17/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14-15H2,(H,22,25)/p+1