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

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-3-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propan-1-one Formula: C24H37N2OS+ MolecularWeight: 401.62838

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H36N2OS/c27-24(7-6-20-8-13-25(14-9-20)23-12-17-28-19-23)26-15-10-22(11-16-26)18-21-4-2-1-3-5-21/h1-5,20,22-23H,6-19H2/p+1/t23-/m0/s1