1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-methyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C17H29N4O2+3 MolecularWeight: 321.43776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O2/c1-18-9-11-20(12-10-18)16-5-7-19(8-6-16)14-15-3-2-4-17(13-15)21(22)23/h2-4,13,16H,5-12,14H2,1H3/p+3