4-[[(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O2/c1-14(20(27)23-16-8-6-15(7-9-16)19(22)26)24-10-12-25(13-11-24)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H2,22,26)(H,23,27)/p+1/t14-/m0/s1