1-cyclohexyl-4-[(4-methylpiperazin-1-yl)methyl]-3-oxidanyl-pyrido[1,2-a]pyrimidin-5-ium-2-one

Systemtic Name: 1-cyclohexyl-4-[(4-methylpiperazin-1-yl)methyl]-3-oxidanyl-pyrido[1,2-a]pyrimidin-5-ium-2-one Openeye Name: 1-cyclohexyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-5-ium-2-one CAS Name: 1-cyclohexyl-3-hydroxy-4-[(4-methyl-1-piperazinyl)methyl]-2-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 1-cyclohexyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-5-ium-2-one Traditional Name: 1-cyclohexyl-3-hydroxy-4-[(4-methylpiperazino)methyl]pyrido[1,2-a]pyrimidin-5-ium-2-one Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C(=O)N(C3=CC=CC=[N+]32)C4CCCCC4)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C(=O)N(C3=CC=CC=[N+]32)C4CCCCC4)O

InChI

InChI=1S/C20H28N4O2/c1-21-11-13-22(14-12-21)15-17-19(25)20(26)24(16-7-3-2-4-8-16)18-9-5-6-10-23(17)18/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3/p+1