3-[1-[(3S)-1-methylpiperidin-1-ium-3-yl]carbonylpiperidin-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[1-[(3S)-1-methylpiperidin-1-ium-3-yl]carbonylpiperidin-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-[(3S)-1-methylpiperidin-1-ium-3-carbonyl]-4-piperidyl]propan-1-one CAS Name: 3-[1-[[(3S)-1-methyl-3-piperidin-1-iumyl]-oxomethyl]-4-piperidinyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-[(3S)-1-methylpiperidin-1-ium-3-carbonyl]piperidin-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[1-[(3S)-1-methylpiperidin-1-ium-3-carbonyl]-4-piperidyl]propan-1-one Formula: C27H42N3O2+ MolecularWeight: 440.64128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)N2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)N2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H41N3O2/c1-28-15-5-8-25(21-28)27(32)30-18-11-22(12-19-30)9-10-26(31)29-16-13-24(14-17-29)20-23-6-3-2-4-7-23/h2-4,6-7,22,24-25H,5,8-21H2,1H3/p+1/t25-/m0/s1