N'-[[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-2-oxidanyl-benzohydrazide

Systemtic Name: N'-[[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-2-oxidanyl-benzohydrazide Openeye Name: N'-[[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-2-hydroxy-benzohydrazide CAS Name: N'-[[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methyl]-2-hydroxybenzohydrazide IUPAC Name: N'-[[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-2-hydroxybenzohydrazide Traditional Name: N'-[[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-2-hydroxy-benzohydrazide Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=O)C4=CC=CC=C4O

Isomeric SMILES

C1CCCN(CC1)C2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=O)C4=CC=CC=C4O

InChI

InChI=1S/C22H23N5O3/c28-18-10-4-3-9-16(18)21(29)25-23-15-17-20(26-12-6-1-2-7-13-26)24-19-11-5-8-14-27(19)22(17)30/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H2,25,28,29)/p+1