3-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium Formula: C16H35N3S2+2 MolecularWeight: 333.5992

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCC[NH+](C1)C2CSCCSC2

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCC[NH+](C1)C2CSCCSC2

InChI

InChI=1S/C16H33N3S2/c1-17(2)7-5-8-18(3)15-6-4-9-19(12-15)16-13-20-10-11-21-14-16/h15-16H,4-14H2,1-3H3/p+2/t15-/m0/s1