N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(8-methoxy-5-quinolyl)methyl]-N-methyl-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[(8-methoxy-5-quinolinyl)methyl]-N-methyl-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[(8-methoxy-5-quinolyl)methyl]-N-methyl-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C=CC=NC2=C(C=C1)OC)C(=O)C3=CN(N=N3)CC[NH+]4CCCCC4

Isomeric SMILES

CN(CC1=C2C=CC=NC2=C(C=C1)OC)C(=O)C3=CN(N=N3)CC[NH+]4CCCCC4

InChI

InChI=1S/C22H28N6O2/c1-26(15-17-8-9-20(30-2)21-18(17)7-6-10-23-21)22(29)19-16-28(25-24-19)14-13-27-11-4-3-5-12-27/h6-10,16H,3-5,11-15H2,1-2H3/p+1