[4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-(4-isobutylpiperazin-4-ium-1-yl)phenyl]methylammonium CAS Name: [4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-(4-isobutylpiperazin-4-ium-1-yl)benzyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3/c1-13(2)12-17-7-9-18(10-8-17)15-5-3-14(11-16)4-6-15/h3-6,13H,7-12,16H2,1-2H3/p+2