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

Systemtic Name: 3-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium Openeye Name: 3-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium CAS Name: 3-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium IUPAC Name: 3-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium Traditional Name: 3-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium Formula: C14H12NS+ MolecularWeight: 226.31678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)SC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C[N+]2=C(C=C1)SC3=CC=CC=C3C=C2

InChI

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