1,4-dithiepan-6-yl-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[[(3R)-1-(1-methyl-6-oxo-pyridazin-4-yl)pyrrolidin-3-yl]methyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[[(3R)-1-(1-methyl-6-oxo-4-pyridazinyl)-3-pyrrolidinyl]methyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[[(3R)-1-(6-keto-1-methyl-pyridazin-4-yl)pyrrolidin-3-yl]methyl]ammonium Formula: C15H25N4OS2+ MolecularWeight: 341.5152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCC(C2)C[NH2+]C3CSCCSC3

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[C@@H](C2)C[NH2+]C3CSCCSC3

InChI

InChI=1S/C15H24N4OS2/c1-18-15(20)6-14(8-17-18)19-3-2-12(9-19)7-16-13-10-21-4-5-22-11-13/h6,8,12-13,16H,2-5,7,9-11H2,1H3/p+1/t12-/m1/s1