3-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 3-[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-(1-m-anisylpiperidin-1-ium-4-yl)propan-1-one Formula: C28H39N2O2+ MolecularWeight: 435.62146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N2O2/c1-32-27-9-5-8-26(21-27)22-29-16-12-23(13-17-29)10-11-28(31)30-18-14-25(15-19-30)20-24-6-3-2-4-7-24/h2-9,21,23,25H,10-20,22H2,1H3/p+1