4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]butan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]benzamide Formula: C24H32ClN4O2+ MolecularWeight: 443.98948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H31ClN4O2/c1-18(2)22(27-23(30)19-8-10-20(25)11-9-19)24(31)26-12-13-28-14-16-29(17-15-28)21-6-4-3-5-7-21/h3-11,18,22H,12-17H2,1-2H3,(H,26,31)(H,27,30)/p+1/t22-/m0/s1