1-methyl-2-oxidanyl-3-(7-thiophen-2-yl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-2-oxidanyl-3-(7-thiophen-2-yl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[7-(2-thienyl)-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-(7-thiophen-2-yl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-(7-thiophen-2-yl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[7-(2-thienyl)-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl]-3H-quinolin-1-ium-4-one Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NCCNC(C3)C4=CC=CS4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NCCNC(C3)C4=CC=CS4)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/h2-7,10,13,17,20H,8-9,11H2,1H3/p+1