N,N-dimethyl-5-(4-pentyl-1,4-diazepan-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine bromide

Systemtic Name: N,N-dimethyl-5-(4-pentyl-1,4-diazepan-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine bromide Openeye Name: N,N-dimethyl-5-(4-pentyl-1,4-diazepan-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine bromide CAS Name: N,N-dimethyl-5-(4-pentyl-1,4-diazepan-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine bromide IUPAC Name: N,N-dimethyl-5-(4-pentyl-1,4-diazepan-1-yl)-1,2,4-dithiazolidin-4-ium-3-amine bromide Traditional Name: [5-(4-amyl-1,4-diazepan-1-yl)-1,2,4-dithiazolidin-4-ium-3-yl]-dimethyl-amine bromide Formula: C14H31BrN4S2 MolecularWeight: 399.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCCN(CC1)C2[NH2+]C(SS2)N(C)C.[Br-]

Isomeric SMILES

CCCCCN1CCCN(CC1)C2[NH2+]C(SS2)N(C)C.[Br-]

InChI

InChI=1S/C14H30N4S2.BrH/c1-4-5-6-8-17-9-7-10-18(12-11-17)14-15-13(16(2)3)19-20-14;/h13-15H,4-12H2,1-3H3;1H