N-ethyl-3-(4-nitrophenyl)-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide

Systemtic Name: N-ethyl-3-(4-nitrophenyl)-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: N-ethyl-3-(4-nitrophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: N-ethyl-3-(4-nitrophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: N-ethyl-3-(4-nitrophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: N-ethyl-3-keto-3-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H21N3O3S/c1-2-21-20(27)18(19(24)15-7-9-17(10-8-15)23(25)26)22-12-11-14-5-3-4-6-16(14)13-22/h7-13,18H,2-6H2,1H3/p+1