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

Systemtic Name: 2-methyl-N-[(2S)-3-methyl-1-[[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-methyl-N-[(1S)-2-methyl-1-[[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]propyl]benzamide CAS Name: 2-methyl-N-[(2S)-3-methyl-1-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-methyl-N-[(2S)-3-methyl-1-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxobutan-2-yl]benzamide Traditional Name: 2-methyl-N-[(1S)-2-methyl-1-[[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]propyl]benzamide Formula: C25H35N4O2+ MolecularWeight: 423.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C25H34N4O2/c1-17(2)23(27-24(30)21-9-7-6-8-18(21)3)25(31)26-20-10-11-22(19(4)16-20)29-14-12-28(5)13-15-29/h6-11,16-17,23H,12-15H2,1-5H3,(H,26,31)(H,27,30)/p+1/t23-/m0/s1