1-[4-(4-methyl-6-morpholin-4-yl-pyrimidin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-(4-methyl-6-morpholin-4-yl-pyrimidin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-(4-methyl-6-morpholino-pyrimidin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[4-methyl-6-(4-morpholinyl)-2-pyrimidin-1-iumyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-1-ium-2-yl)piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(4-methyl-6-morpholino-pyrimidin-1-ium-2-yl)piperazino]-3-phenyl-propan-1-one Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)CCC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)CCC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H29N5O2/c1-18-17-20(25-13-15-29-16-14-25)24-22(23-18)27-11-9-26(10-12-27)21(28)8-7-19-5-3-2-4-6-19/h2-6,17H,7-16H2,1H3/p+1