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

Systemtic Name: 4-chloranyl-N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-3-nitro-benzamide Formula: C18H26ClN4O4+ MolecularWeight: 397.87644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O4/c1-4-21-7-9-22(10-8-21)18(25)16(12(2)3)20-17(24)13-5-6-14(19)15(11-13)23(26)27/h5-6,11-12,16H,4,7-10H2,1-3H3,(H,20,24)/p+1/t16-/m0/s1