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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C2=CC=CC=C2C[NH3+]

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C15H25N3/c1-3-13(2)17-8-10-18(11-9-17)15-7-5-4-6-14(15)12-16/h4-7,13H,3,8-12,16H2,1-2H3/p+2/t13-/m0/s1