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

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-chloro-benzamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H28ClN3O2/c1-17(2)21(25-22(28)19-10-6-7-11-20(19)24)23(29)27-14-12-26(13-15-27)16-18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3,(H,25,28)/p+1/t21-/m0/s1