N-(2,4-dinitrophenyl)-1-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: N-(2,4-dinitrophenyl)-1-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: 1-benzyl-N-(2,4-dinitrophenyl)piperidin-1-ium-4-amine CAS Name: N-(2,4-dinitrophenyl)-1-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: 1-benzyl-N-(2,4-dinitrophenyl)piperidin-1-ium-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(2,4-dinitrophenyl)amine Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4/c23-21(24)16-6-7-17(18(12-16)22(25)26)19-15-8-10-20(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,19H,8-11,13H2/p+1