(2S)-1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: (2S)-1-(4-methyl-1-piperidinyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-(4-methylpiperidino)propan-1-one Formula: C21H36N5O+ MolecularWeight: 374.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C21H35N5O/c1-15(2)20-22-17(4)14-19(23-20)25-12-10-24(11-13-25)18(5)21(27)26-8-6-16(3)7-9-26/h14-16,18H,6-13H2,1-5H3/p+1/t18-/m0/s1