2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N4O2/c1-17-6-7-20-23-19(14-21(27)26(20)15-17)16-24-12-8-18(9-13-24)22(28)25-10-4-2-3-5-11-25/h6-7,14-15,18H,2-5,8-13,16H2,1H3/p+2