3-butyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride

Systemtic Name: 3-butyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride Openeye Name: 3-butyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride CAS Name: 3-butyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride IUPAC Name: 3-butyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride Traditional Name: (3-butyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl)amine hydrochloride Formula: C9H19ClN2S MolecularWeight: 222.77856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSCCC(=N1)N.Cl

Isomeric SMILES

CCCCC1CSCCC(=N1)N.Cl

InChI

InChI=1S/C9H18N2S.ClH/c1-2-3-4-8-7-12-6-5-9(10)11-8;/h8H,2-7H2,1H3,(H2,10,11);1H