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

Systemtic Name: (2R)-N-[(4-methylphenyl)methyl]-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-(p-tolylmethyl)propanamide CAS Name: (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(4-methylphenyl)methyl]-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-(4-methylbenzyl)propionamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O/c1-16(2)22-25-18(4)14-21(26-22)28-12-10-27(11-13-28)19(5)23(29)24-15-20-8-6-17(3)7-9-20/h6-9,14,16,19H,10-13,15H2,1-5H3,(H,24,29)/p+1/t19-/m1/s1