6-[(E)-3-methylbut-1-enyl]-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride

Systemtic Name: 6-[(E)-3-methylbut-1-enyl]-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride Openeye Name: 6-[(E)-3-methylbut-1-enyl]-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride CAS Name: 6-[(E)-3-methylbut-1-enyl]-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride IUPAC Name: 6-[(E)-3-methylbut-1-enyl]-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine hydrochloride Traditional Name: [6-[(E)-3-methylbut-1-enyl]-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]amine hydrochloride Formula: C10H19ClN2S MolecularWeight: 234.78926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC1CSCCN=C1N.Cl

Isomeric SMILES

CC(C)/C=C/C1CSCCN=C1N.Cl

InChI

InChI=1S/C10H18N2S.ClH/c1-8(2)3-4-9-7-13-6-5-12-10(9)11;/h3-4,8-9H,5-7H2,1-2H3,(H2,11,12);1H/b4-3+;