N-[(4S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-4-yl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(4S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-4-yl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[(4S)-2-keto-3,4-dihydro-1H-quinolin-4-yl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NC3CC(=O)NC4=CC=CC=C34

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)N[C@H]3CC(=O)NC4=CC=CC=C34

InChI

InChI=1S/C19H24N6O2/c26-18-12-16(14-6-2-3-7-15(14)20-18)21-19(27)17-13-25(23-22-17)11-10-24-8-4-1-5-9-24/h2-3,6-7,13,16H,1,4-5,8-12H2,(H,20,26)(H,21,27)/p+1/t16-/m0/s1