1-methyl-3-[(7R)-7-thiophen-2-yl-1,4-diazepan-1-ium-5-ylidene]quinoline-2,4-dione

Systemtic Name: 1-methyl-3-[(7R)-7-thiophen-2-yl-1,4-diazepan-1-ium-5-ylidene]quinoline-2,4-dione Openeye Name: 1-methyl-3-[(7R)-7-(2-thienyl)-1,4-diazepan-1-ium-5-ylidene]quinoline-2,4-dione CAS Name: 1-methyl-3-[(7R)-7-thiophen-2-yl-1,4-diazepan-1-ium-5-ylidene]quinoline-2,4-dione IUPAC Name: 1-methyl-3-[(7R)-7-thiophen-2-yl-1,4-diazepan-1-ium-5-ylidene]quinoline-2,4-dione Traditional Name: 1-methyl-3-[(7R)-7-(2-thienyl)-1,4-diazepan-1-ium-5-ylidene]quinoline-2,4-quinone Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3CC([NH2+]CCN3)C4=CC=CS4)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C3C[C@@H]([NH2+]CCN3)C4=CC=CS4)C1=O

InChI

InChI=1S/C19H19N3O2S/c1-22-15-6-3-2-5-12(15)18(23)17(19(22)24)14-11-13(20-8-9-21-14)16-7-4-10-25-16/h2-7,10,13,20-21H,8-9,11H2,1H3/p+1/t13-/m1/s1