3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(o-tolylmethyl)piperidin-1-ium-3-yl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3R)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-methylbenzyl)piperidin-1-ium-3-yl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H34N4O/c1-21-7-2-3-9-23(21)20-27-14-6-8-22(19-27)11-12-25(30)29-17-15-28(16-18-29)24-10-4-5-13-26-24/h2-5,7,9-10,13,22H,6,8,11-12,14-20H2,1H3/p+1/t22-/m1/s1