2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline

Systemtic Name: 2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline Openeye Name: 2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline CAS Name: 2-nitro-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]aniline IUPAC Name: 2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline Traditional Name: (2-nitrophenyl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2/c22-21(23)18-6-2-1-5-17(18)19-13-15-7-9-16(10-8-15)14-20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-14H2/p+1