N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[[[(2R)-butan-2-yl]amino]-oxomethyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C19H28N4O3/c1-4-14(2)20-19(26)21-18(25)13-22-9-11-23(12-10-22)17-7-5-16(6-8-17)15(3)24/h5-8,14H,4,9-13H2,1-3H3,(H2,20,21,25,26)/p+1/t14-/m1/s1