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

Systemtic Name: (2R)-N-(3-methylphenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(m-tolyl)propanamide CAS Name: (2R)-N-(3-methylphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-methylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(m-tolyl)propionamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@@H](C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C22H31N5O/c1-15(2)21-23-17(4)14-20(25-21)27-11-9-26(10-12-27)18(5)22(28)24-19-8-6-7-16(3)13-19/h6-8,13-15,18H,9-12H2,1-5H3,(H,24,28)/p+1/t18-/m1/s1