(3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C17H19ClN2O2 MolecularWeight: 318.79796

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C[NH+]1C)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[C@H]1C(C2=C(C[NH+]1C)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H18N2O2.ClH/c1-12-17(13-6-4-3-5-7-13)16-10-15(19(20)21)9-8-14(16)11-18(12)2;/h3-10,12,17H,11H2,1-2H3;1H/t12-,17?;/m0./s1