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

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(4-ethylphenyl)propionamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O2/c1-3-17-8-10-18(11-9-17)24-21(27)16(2)25-12-14-26(15-13-25)22(28)19-6-4-5-7-20(19)23/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)/p+1/t16-/m0/s1