4-chloranyl-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-[(4-methyl-1-piperazin-4-iumyl)amino]-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]-3-nitro-benzamide Formula: C17H25ClN5O4+ MolecularWeight: 398.8645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1CC[NH+](CC1)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NN1CC[NH+](CC1)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H24ClN5O4/c1-11(2)15(17(25)20-22-8-6-21(3)7-9-22)19-16(24)12-4-5-13(18)14(10-12)23(26)27/h4-5,10-11,15H,6-9H2,1-3H3,(H,19,24)(H,20,25)/p+1/t15-/m0/s1