N-[(1R)-3-methyl-1-phenyl-butyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O/c1-17(2)15-19(18-7-4-3-5-8-18)24-20(27)16-25-11-13-26(14-12-25)21-22-9-6-10-23-21/h3-10,17,19H,11-16H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1