2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCCSC4=CC=CC=C43

InChI

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