(2S)-2-acetamido-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide

Systemtic Name: (2S)-2-acetamido-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Openeye Name: (2S)-2-acetamido-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: (2S)-2-acetamido-3-methyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]butanamide IUPAC Name: (2S)-2-acetamido-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: (2S)-2-acetamido-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C18H29N4O2+ MolecularWeight: 333.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C

InChI

InChI=1S/C18H28N4O2/c1-13(2)17(19-14(3)23)18(24)20-15-5-7-16(8-6-15)22-11-9-21(4)10-12-22/h5-8,13,17H,9-12H2,1-4H3,(H,19,23)(H,20,24)/p+1/t17-/m0/s1