[3-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylazanium

Systemtic Name: [3-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [3-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [3-[[4-(4-methyl-1-piperazin-4-iumyl)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [3-[4-(4-methylpiperazin-4-ium-1-yl)butanoylamino]benzyl]ammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

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