N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O2/c1-15(2)20-22-16(3)13-18(23-20)26-11-9-25(10-12-26)8-7-19(28)24-21(5,6)14-17(4)27/h13,15H,7-12,14H2,1-6H3,(H,24,28)/p+1