N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[(2-nitrophenyl)methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (2-nitrobenzyl)-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O2/c17-16(18)13-6-2-1-5-12(13)11-14-7-10-15-8-3-4-9-15/h1-2,5-6,14H,3-4,7-11H2/p+1