[4-(phenylmethyl)piperidin-1-yl]-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperidin-1-yl]-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperidinyl]-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O/c28-24(23-7-4-14-26(19-23)18-22-8-12-25-13-9-22)27-15-10-21(11-16-27)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,12-13,21,23H,4,7,10-11,14-19H2/p+1/t23-/m0/s1