7,11-dimethylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate

Systemtic Name: 7,11-dimethylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate Openeye Name: 7,11-dimethylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate CAS Name: 7,11-dimethylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate IUPAC Name: 7,11-dimethylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate Traditional Name: 7,11-dimethylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate Formula: C15H14ClNO4S MolecularWeight: 339.79396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC3=CC=CC=[N+]3C=C2C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=CC2=C1SC3=CC=CC=[N+]3C=C2C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H14NS.ClHO4/c1-11-6-5-7-13-12(2)10-16-9-4-3-8-14(16)17-15(11)13;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)/q+1;/p-1