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

Systemtic Name: 1-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium Openeye Name: 1-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium CAS Name: 1-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium IUPAC Name: 1-methylpyrido[2,1-b][1,3]benzothiazepin-5-ium Traditional Name: 1-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=C2[N+](=CC=C1)C=CC3=CC=CC=C3S2

Isomeric SMILES

CC1=C2[N+](=CC=C1)C=CC3=CC=CC=C3S2

InChI

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