N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C18H28ClN4O2+ MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O2/c1-4-14(3)20-18(25)21-17(24)12-22-7-9-23(10-8-22)16-11-15(19)6-5-13(16)2/h5-6,11,14H,4,7-10,12H2,1-3H3,(H2,20,21,24,25)/p+1/t14-/m0/s1