9-methyl-4-pentyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium

Systemtic Name: 9-methyl-4-pentyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Openeye Name: 9-methyl-4-pentyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium CAS Name: 9-methyl-4-pentyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium IUPAC Name: 9-methyl-4-pentyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Traditional Name: 4-amyl-9-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Formula: C15H24NS+ MolecularWeight: 250.42276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1CCSC2=C(C1)C=CC=C2C

Isomeric SMILES

CCCCC[NH+]1CCSC2=C(C1)C=CC=C2C

InChI

InChI=1S/C15H23NS/c1-3-4-5-9-16-10-11-17-15-13(2)7-6-8-14(15)12-16/h6-8H,3-5,9-12H2,1-2H3/p+1