2-(azocan-1-ium-1-ylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCCCCCC3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCCCCCC3)C=C1

InChI

InChI=1S/C17H23N3O/c1-14-7-8-16-18-15(11-17(21)20(16)12-14)13-19-9-5-3-2-4-6-10-19/h7-8,11-12H,2-6,9-10,13H2,1H3/p+1