N-[(3-nitrophenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline

Systemtic Name: N-[(3-nitrophenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline Openeye Name: N-[(3-nitrophenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline CAS Name: N-[(3-nitrophenyl)methyl]-3-(1-pyrrolidin-1-iumylmethyl)aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline Traditional Name: (3-nitrobenzyl)-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amine Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2/c22-21(23)18-8-4-5-15(12-18)13-19-17-7-3-6-16(11-17)14-20-9-1-2-10-20/h3-8,11-12,19H,1-2,9-10,13-14H2/p+1