4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one

Systemtic Name: 4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one Openeye Name: 4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one CAS Name: 4-(2-amino-6-methyl-4-pyrimidin-3-iumyl)-1-[(3-methoxyphenyl)methyl]-2-piperazinone IUPAC Name: 4-(2-amino-6-methylpyrimidin-3-ium-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one Traditional Name: 4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-1-m-anisyl-piperazin-2-one Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)N2CCN(C(=O)C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)N2CCN(C(=O)C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C17H21N5O2/c1-12-8-15(20-17(18)19-12)21-6-7-22(16(23)11-21)10-13-4-3-5-14(9-13)24-2/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,18,19,20)/p+1