[3-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2S)-2-(4-methyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]amino]benzyl]ammonium Formula: C15H26N4O+2 MolecularWeight: 278.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCN(CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCN(CC2)C

InChI

InChI=1S/C15H24N4O/c1-12(19-8-6-18(2)7-9-19)15(20)17-14-5-3-4-13(10-14)11-16/h3-5,10,12H,6-9,11,16H2,1-2H3,(H,17,20)/p+2/t12-/m0/s1