[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-(2-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C22H30N6O/c1-16(2)20-24-17(3)15-19(25-20)26-11-13-28(14-12-26)22(29)18-7-6-8-23-21(18)27-9-4-5-10-27/h6-8,15-16H,4-5,9-14H2,1-3H3/p+1