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

Systemtic Name: N-[2-[1-(quinolin-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-(4-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-(4-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-(quinolin-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(4-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CC1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C22H25N5O/c28-22(16-5-6-16)25-21-8-12-24-27(21)18-9-13-26(14-10-18)15-17-7-11-23-20-4-2-1-3-19(17)20/h1-4,7-8,11-12,16,18H,5-6,9-10,13-15H2,(H,25,28)/p+1