1-methyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-methyl-4-[1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C17H29N4O2+3 MolecularWeight: 321.43776

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