N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C19H30N4O2/c1-5-15(3)20-19(25)21-18(24)13-22-9-11-23(12-10-22)17-8-6-7-14(2)16(17)4/h6-8,15H,5,9-13H2,1-4H3,(H2,20,21,24,25)/p+1/t15-/m0/s1