1,4-dithiepan-6-yl-[(2-imidazol-1-ylpyridin-3-yl)methyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(2-imidazol-1-ylpyridin-3-yl)methyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(2-imidazol-1-yl-3-pyridyl)methyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[[2-(1-imidazolyl)-3-pyridinyl]methyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(2-imidazol-1-ylpyridin-3-yl)methyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(2-imidazol-1-yl-3-pyridyl)methyl]ammonium Formula: C14H19N4S2+ MolecularWeight: 307.45746

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CS1)[NH2+]CC2=C(N=CC=C2)N3C=CN=C3

Isomeric SMILES

C1CSCC(CS1)[NH2+]CC2=C(N=CC=C2)N3C=CN=C3

InChI

InChI=1S/C14H18N4S2/c1-2-12(8-17-13-9-19-6-7-20-10-13)14(16-3-1)18-5-4-15-11-18/h1-5,11,13,17H,6-10H2/p+1