N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-(5-quinolylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-(5-quinolinylmethyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-(5-quinolylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C5C=CC=NC5=CC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C5C=CC=NC5=CC=C4

InChI

InChI=1S/C21H24N6O/c28-21(23-16-6-7-16)20-14-27(25-24-20)17-8-11-26(12-9-17)13-15-3-1-5-19-18(15)4-2-10-22-19/h1-5,10,14,16-17H,6-9,11-13H2,(H,23,28)/p+1