3,3-dimethyl-N-(4-nitrophenyl)-4H-isoquinolin-2-ium-1-amine

Systemtic Name: 3,3-dimethyl-N-(4-nitrophenyl)-4H-isoquinolin-2-ium-1-amine Openeye Name: 3,3-dimethyl-N-(4-nitrophenyl)-4H-isoquinolin-2-ium-1-amine CAS Name: 3,3-dimethyl-N-(4-nitrophenyl)-4H-isoquinolin-2-ium-1-amine IUPAC Name: 3,3-dimethyl-N-(4-nitrophenyl)-4H-isoquinolin-2-ium-1-amine Traditional Name: (3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-(4-nitrophenyl)amine Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]1)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]1)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O2/c1-17(2)11-12-5-3-4-6-15(12)16(19-17)18-13-7-9-14(10-8-13)20(21)22/h3-10H,11H2,1-2H3,(H,18,19)/p+1