[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Systemtic Name: [4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone Openeye Name: [4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone CAS Name: [4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]-(1H-1,2,4-triazol-5-yl)methanone IUPAC Name: [4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone Traditional Name: [4-(2-methylquinolin-1-ium-4-yl)piperazino]-(1H-1,2,4-triazol-5-yl)methanone Formula: C17H19N6O+ MolecularWeight: 323.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=NC=NN4

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=NC=NN4

InChI

InChI=1S/C17H18N6O/c1-12-10-15(13-4-2-3-5-14(13)20-12)22-6-8-23(9-7-22)17(24)16-18-11-19-21-16/h2-5,10-11H,6-9H2,1H3,(H,18,19,21)/p+1