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

Systemtic Name: 7-bromanyl-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H17BrN3OS+ MolecularWeight: 403.31608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C18H16BrN3OS/c19-13-6-7-17-20-14(10-18(23)22(17)11-13)12-21-8-3-9-24-16-5-2-1-4-15(16)21/h1-2,4-7,10-11H,3,8-9,12H2/p+1