1-cyclopentyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-cyclopentyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]pyrazole-3-carboxamide Openeye Name: 1-cyclopentyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]pyrazole-3-carboxamide CAS Name: 1-cyclopentyl-N-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-cyclopentyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 1-cyclopentyl-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]pyrazole-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4CCCC4

InChI

InChI=1S/C22H30N4O2/c27-22(21-12-15-26(24-21)19-6-2-3-7-19)23-18-8-10-20(11-9-18)28-17-16-25-13-4-1-5-14-25/h8-12,15,19H,1-7,13-14,16-17H2,(H,23,27)/p+1