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

Systemtic Name: methyl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]ammonium CAS Name: methyl-[1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-methyl-[1-(4-nitrobenzyl)piperidin-1-ium-4-yl]ammonium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c1-21(15-17-5-3-2-4-6-17)19-11-13-22(14-12-19)16-18-7-9-20(10-8-18)23(24)25/h2-10,19H,11-16H2,1H3/p+2