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

Systemtic Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C23H33N4O2+3 MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O2/c28-27(29)23-8-4-7-21(17-23)19-24-11-9-22(10-12-24)26-15-13-25(14-16-26)18-20-5-2-1-3-6-20/h1-8,17,22H,9-16,18-19H2/p+3