2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H20N3OS+ MolecularWeight: 338.4466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C19H19N3OS/c1-14-6-4-10-22-18(23)12-15(20-19(14)22)13-21-9-5-11-24-17-8-3-2-7-16(17)21/h2-4,6-8,10,12H,5,9,11,13H2,1H3/p+1