3-azanyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxamide

Systemtic Name: 3-azanyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxamide Openeye Name: 3-amino-N-(o-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxamide CAS Name: 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxamide IUPAC Name: 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxamide Traditional Name: 3-amino-N-(o-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxamide Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4)[NH+]=C3S2)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4)[NH+]=C3S2)N

InChI

InChI=1S/C19H19N3OS/c1-11-6-2-4-8-14(11)21-18(23)17-16(20)13-10-12-7-3-5-9-15(12)22-19(13)24-17/h2,4,6,8,10H,3,5,7,9,20H2,1H3,(H,21,23)/p+1