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

Systemtic Name: 1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine CAS Name: 1-[1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazine Traditional Name: 1-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O2/c27-26(28)22-9-5-4-6-19(22)18-23-12-10-21(11-13-23)25-16-14-24(15-17-25)20-7-2-1-3-8-20/h1-9,21H,10-18H2/p+1