(2S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C24H32ClN4O2+ MolecularWeight: 443.98948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H31ClN4O2/c1-17(2)23(27-22(30)15-18-7-5-4-6-8-18)24(31)26-20-16-19(25)9-10-21(20)29-13-11-28(3)12-14-29/h4-10,16-17,23H,11-15H2,1-3H3,(H,26,31)(H,27,30)/p+1/t23-/m0/s1