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

Systemtic Name: 3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(o-tolylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-(2-methylbenzyl)piperidin-1-ium-3-yl]propan-1-one Formula: C27H38N3O+ MolecularWeight: 420.61012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O/c1-23-8-5-6-12-26(23)22-29-15-7-11-25(21-29)13-14-27(31)30-18-16-28(17-19-30)20-24-9-3-2-4-10-24/h2-6,8-10,12,25H,7,11,13-22H2,1H3/p+1/t25-/m1/s1