4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-[(2S)-pentan-2-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-[(2S)-pentan-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-chloroanilino)-2-oxo-ethyl]-N-[(1S)-1-methylbutyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-[(2S)-pentan-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-chloroanilino)-2-keto-ethyl]-N-[(1S)-1-methylbutyl]piperazin-4-ium-1-carboxamide Formula: C18H28ClN4O2+ MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCC[C@H](C)NC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C18H27ClN4O2/c1-3-6-14(2)20-18(25)23-11-9-22(10-12-23)13-17(24)21-16-8-5-4-7-15(16)19/h4-5,7-8,14H,3,6,9-13H2,1-2H3,(H,20,25)(H,21,24)/p+1/t14-/m0/s1