[2-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylazanium

Systemtic Name: [2-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [2-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [2-[[4-(4-methyl-1-piperazin-4-iumyl)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [2-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [2-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]benzyl]ammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCC(=O)NC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C16H26N4O/c1-19-9-11-20(12-10-19)8-4-7-16(21)18-15-6-3-2-5-14(15)13-17/h2-3,5-6H,4,7-13,17H2,1H3,(H,18,21)/p+2