3-[(3R)-1-(4-methoxyphenyl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(4-methoxyphenyl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(4-methoxybenzoyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-[(4-methoxyphenyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-p-anisoyl-3-piperidyl]propan-1-one Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCCC(C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-33-25-12-10-24(11-13-25)27(32)30-15-5-8-23(21-30)9-14-26(31)29-18-16-28(17-19-29)20-22-6-3-2-4-7-22/h2-4,6-7,10-13,23H,5,8-9,14-21H2,1H3/p+1/t23-/m1/s1