N,1-dimethyl-N-[(2-nitrophenyl)methyl]piperidin-1-ium-4-amine

Systemtic Name: N,1-dimethyl-N-[(2-nitrophenyl)methyl]piperidin-1-ium-4-amine Openeye Name: N,1-dimethyl-N-[(2-nitrophenyl)methyl]piperidin-1-ium-4-amine CAS Name: N,1-dimethyl-N-[(2-nitrophenyl)methyl]-4-piperidin-1-iumamine IUPAC Name: N,1-dimethyl-N-[(2-nitrophenyl)methyl]piperidin-1-ium-4-amine Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-(2-nitrobenzyl)amine Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O2/c1-15-9-7-13(8-10-15)16(2)11-12-5-3-4-6-14(12)17(18)19/h3-6,13H,7-11H2,1-2H3/p+1