N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c21-17(18-15-6-3-7-16(10-15)20(22)23)12-19-9-8-13-4-1-2-5-14(13)11-19/h3,6-11H,1-2,4-5,12H2/p+1