2,2-dimethyl-1-[4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-1-ium-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-1-ium-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-1-ium-2-yl)piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidin-1-iumyl]-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-1-ium-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-(4-methyl-6-pyrrolidino-pyrimidin-1-ium-2-yl)piperazino]propan-1-one Formula: C18H30N5O+ MolecularWeight: 332.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)C(C)(C)C)N3CCCC3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)C(C)(C)C)N3CCCC3

InChI

InChI=1S/C18H29N5O/c1-14-13-15(21-7-5-6-8-21)20-17(19-14)23-11-9-22(10-12-23)16(24)18(2,3)4/h13H,5-12H2,1-4H3/p+1