1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]piperazine Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3/c1-30-23-8-3-2-7-22(23)26-15-13-25(14-16-26)20-9-11-24(12-10-20)18-19-5-4-6-21(17-19)27(28)29/h2-8,17,20H,9-16,18H2,1H3/p+1