1-methyl-3-(1-methyl-1,2,3,4-tetrazol-5-yl)-7-(1-oxidanidylpiperidin-1-ium-1-yl)quinolin-4-one hydrate

Systemtic Name: 1-methyl-3-(1-methyl-1,2,3,4-tetrazol-5-yl)-7-(1-oxidanidylpiperidin-1-ium-1-yl)quinolin-4-one hydrate Openeye Name: 1-methyl-3-(1-methyltetrazol-5-yl)-7-(1-oxidopiperidin-1-ium-1-yl)quinolin-4-one hydrate CAS Name: 1-methyl-3-(1-methyl-5-tetrazolyl)-7-(1-oxido-1-piperidin-1-iumyl)-4-quinolinone hydrate IUPAC Name: 1-methyl-3-(1-methyltetrazol-5-yl)-7-(1-oxidopiperidin-1-ium-1-yl)quinolin-4-one hydrate Traditional Name: 1-methyl-3-(1-methyltetrazol-5-yl)-7-(1-oxidopiperidin-1-ium-1-yl)-4-quinolone hydrate Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)[N+]3(CCCCC3)[O-])C4=NN=NN4C.O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)[N+]3(CCCCC3)[O-])C4=NN=NN4C.O

InChI

InChI=1S/C17H20N6O2.H2O/c1-21-11-14(17-18-19-20-22(17)2)16(24)13-7-6-12(10-15(13)21)23(25)8-4-3-5-9-23;/h6-7,10-11H,3-5,8-9H2,1-2H3;1H2