(2-nitrophenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (2-nitrophenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2-nitrophenyl)methyl]ammonium CAS Name: (2-nitrophenyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2-nitrophenyl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(2-nitrobenzyl)ammonium Formula: C19H25N3O2+2 MolecularWeight: 327.4207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2/c23-22(24)19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,20H,10-15H2/p+2