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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(3-nitrobenzyl)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)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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