1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine

Systemtic Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine Openeye Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine CAS Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]-3-pyrrolidin-1-iumamine IUPAC Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-3-amine Traditional Name: [1-(1H-indazol-5-yl)-1-(4-nitrobenzyl)pyrrolidin-1-ium-3-yl]amine Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N5O2/c19-15-7-8-23(12-15,11-13-1-3-16(4-2-13)22(24)25)17-5-6-18-14(9-17)10-20-21-18/h1-6,9-10,15H,7-8,11-12,19H2,(H,20,21)/q+1