3-[(3R)-7-ethyl-3-methyl-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]-1-methyl-quinoline-2,4-dione

Systemtic Name: 3-[(3R)-7-ethyl-3-methyl-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]-1-methyl-quinoline-2,4-dione Openeye Name: 3-[(3R)-7-ethyl-3-methyl-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]-1-methyl-quinoline-2,4-dione CAS Name: 3-[(3R)-7-ethyl-3-methyl-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]-1-methylquinoline-2,4-dione IUPAC Name: 3-[(3R)-7-ethyl-3-methyl-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]-1-methylquinoline-2,4-dione Traditional Name: 3-[(3R)-7-ethyl-3-methyl-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=O)C3=CC=CC=C3N(C2=O)C)NC(C[NH2+]1)C

Isomeric SMILES

CCC1=CC(=C2C(=O)C3=CC=CC=C3N(C2=O)C)N[C@@H](C[NH2+]1)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/h5-9,11,19-20H,4,10H2,1-3H3/p+1/t11-/m1/s1