3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propan-1-one CAS Name: 3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]propan-1-one Formula: C25H39N2OS2+ MolecularWeight: 447.71996

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4CSCCSC4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4CSCCSC4

InChI

InChI=1S/C25H38N2OS2/c28-25(27-14-10-23(11-15-27)18-22-4-2-1-3-5-22)7-6-21-8-12-26(13-9-21)24-19-29-16-17-30-20-24/h1-5,21,23-24H,6-20H2/p+1