(2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propionamide Formula: C17H24ClN4O3+ MolecularWeight: 367.85046

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H23ClN4O3/c1-3-19-17(25)20-15(23)12(2)21-8-10-22(11-9-21)16(24)13-6-4-5-7-14(13)18/h4-7,12H,3,8-11H2,1-2H3,(H2,19,20,23,25)/p+1/t12-/m0/s1