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

Systemtic Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-1-(4-methylpiperazino)propan-1-one Formula: C18H34N3OS2+ MolecularWeight: 372.61206

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

CN1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C18H33N3OS2/c1-19-7-9-20(10-8-19)18(22)5-4-16-3-2-6-21(13-16)17-14-23-11-12-24-15-17/h16-17H,2-15H2,1H3/p+1/t16-/m1/s1