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

Systemtic Name: N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]acetamide CAS Name: N-[(R)-(1-methyl-2-imidazolyl)-phenylmethyl]-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]acetamide Formula: C25H34N7O+ MolecularWeight: 448.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC(C3=CC=CC=C3)C4=NC=CN4C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N[C@H](C3=CC=CC=C3)C4=NC=CN4C

InChI

InChI=1S/C25H33N7O/c1-18(2)24-27-19(3)16-21(28-24)32-14-12-31(13-15-32)17-22(33)29-23(20-8-6-5-7-9-20)25-26-10-11-30(25)4/h5-11,16,18,23H,12-15,17H2,1-4H3,(H,29,33)/p+1/t23-/m1/s1