1-isoquinolin-5-yl-1-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine

Systemtic Name: 1-isoquinolin-5-yl-1-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine Openeye Name: 1-(5-isoquinolyl)-1-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine CAS Name: 1-(5-isoquinolinyl)-1-[(3-nitrophenyl)methyl]-3-pyrrolidin-1-iumamine IUPAC Name: 1-isoquinolin-5-yl-1-[(3-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine Traditional Name: [1-(5-isoquinolyl)-1-(3-nitrobenzyl)pyrrolidin-1-ium-3-yl]amine Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC1N)(CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1C[N+](CC1N)(CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H21N4O2/c21-17-8-10-24(14-17,13-15-3-1-5-18(11-15)23(25)26)20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,17H,8,10,13-14,21H2/q+1