6,7-dimethoxy-N-(4-nitrophenyl)spiro[4H-isoquinolin-2-ium-3,1'-cyclopentane]-1-amine

Systemtic Name: 6,7-dimethoxy-N-(4-nitrophenyl)spiro[4H-isoquinolin-2-ium-3,1'-cyclopentane]-1-amine Openeye Name: 6,7-dimethoxy-N-(4-nitrophenyl)spiro[4H-isoquinolin-2-ium-3,1'-cyclopentane]-1-amine CAS Name: 6,7-dimethoxy-N-(4-nitrophenyl)-1-spiro[4H-isoquinolin-2-ium-3,1'-cyclopentane]amine IUPAC Name: 6,7-dimethoxy-N-(4-nitrophenyl)spiro[4H-isoquinolin-2-ium-3,1'-cyclopentane]-1-amine Traditional Name: (6,7-dimethoxyspiro[4H-isoquinolin-2-ium-3,1'-cyclopentane]-1-yl)-(4-nitrophenyl)amine Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC3(CCCC3)[NH+]=C2NC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC3(CCCC3)[NH+]=C2NC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O4/c1-27-18-11-14-13-21(9-3-4-10-21)23-20(17(14)12-19(18)28-2)22-15-5-7-16(8-6-15)24(25)26/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,23)/p+1