(3S)-N-(1,3-benzodioxol-5-yl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]amine Formula: C17H25N2O2S2+ MolecularWeight: 353.5226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H24N2O2S2/c1-2-14(9-19(5-1)15-10-22-6-7-23-11-15)18-13-3-4-16-17(8-13)21-12-20-16/h3-4,8,14-15,18H,1-2,5-7,9-12H2/p+1/t14-/m0/s1