2,2,4-trimethyl-3H-1,5-benzothiazepin-5-ium

Systemtic Name: 2,2,4-trimethyl-3H-1,5-benzothiazepin-5-ium Openeye Name: 2,2,4-trimethyl-3H-1,5-benzothiazepin-5-ium CAS Name: 2,2,4-trimethyl-3H-1,5-benzothiazepin-5-ium IUPAC Name: 2,2,4-trimethyl-3H-1,5-benzothiazepin-5-ium Traditional Name: 2,2,4-trimethyl-3H-1,5-benzothiazepin-5-ium Formula: C12H16NS+ MolecularWeight: 206.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2SC(C1)(C)C

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2SC(C1)(C)C

InChI

InChI=1S/C12H15NS/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9/h4-7H,8H2,1-3H3/p+1