N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C20H23Cl2N4O3+ MolecularWeight: 438.32762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22Cl2N4O3/c1-13(16-5-4-15(21)12-17(16)22)23-20(27)14-3-6-18(19(11-14)26(28)29)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,27)/p+1/t13-/m0/s1