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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCCCCC3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCCCCC3)C=C1

InChI

InChI=1S/C16H21N3O/c1-13-6-7-15-17-14(10-16(20)19(15)11-13)12-18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9,12H2,1H3/p+1