N-methyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-methyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: N-methyl-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-16(2)21-22-17(3)14-19(23-21)26-12-10-25(11-13-26)15-20(27)24(4)18-8-6-5-7-9-18/h5-9,14,16H,10-13,15H2,1-4H3/p+1