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

Systemtic Name: (1R)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1R)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1R)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1R)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1R)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-15(2)20-21-16(3)13-19(22-20)24-11-9-23(10-12-24)14-18(25)17-7-5-4-6-8-17/h4-8,13,15,18,25H,9-12,14H2,1-3H3/p+1/t18-/m0/s1