N-[2-[1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylpiperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylpiperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]-4-piperidyl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-piperidinyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]-4-piperidyl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

InChI

InChI=1S/C25H33N5O2/c31-24(20-8-9-20)27-23-10-13-26-30(23)22-11-16-29(17-12-22)25(32)21-6-4-19(5-7-21)18-28-14-2-1-3-15-28/h4-7,10,13,20,22H,1-3,8-9,11-12,14-18H2,(H,27,31)/p+1