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

Systemtic Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-14(15-4-3-5-17(21)12-15)22-20(26)16-6-7-18(19(13-16)25(27)28)24-10-8-23(2)9-11-24/h3-7,12-14H,8-11H2,1-2H3,(H,22,26)/p+1/t14-/m0/s1