3-(7-ethyl-3-methyl-2,3-dihydro-1H-1,4-diazepin-5-yl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-(7-ethyl-3-methyl-2,3-dihydro-1H-1,4-diazepin-5-yl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-(7-ethyl-3-methyl-2,3-dihydro-1H-1,4-diazepin-5-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-(7-ethyl-3-methyl-2,3-dihydro-1H-1,4-diazepin-5-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-(7-ethyl-3-methyl-2,3-dihydro-1H-1,4-diazepin-5-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-(7-ethyl-3-methyl-2,3-dihydro-1H-1,4-diazepin-5-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(CN1)C)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

Isomeric SMILES

CCC1=CC(=NC(CN1)C)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

InChI

InChI=1S/C18H21N3O2/c1-4-12-9-14(20-11(2)10-19-12)16-17(22)13-7-5-6-8-15(13)21(3)18(16)23/h5-9,11,16H,4,10H2,1-3H3,(H,19,20)/p+1