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

Systemtic Name: 7-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate Openeye Name: 7-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate CAS Name: 7-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate IUPAC Name: 7-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate Traditional Name: 7-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium perchlorate Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=CC=CC=C2SC3=CC=CC=C13.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C[N+]2=CC=CC=C2SC3=CC=CC=C13.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H12NS.ClHO4/c1-11-10-15-9-5-4-8-14(15)16-13-7-3-2-6-12(11)13;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1