N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[(4-nitrophenyl)methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c17-16(18)13-5-3-12(4-6-13)11-14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-11H2/p+1