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

Systemtic Name: 2-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]aniline Openeye Name: 2-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]aniline CAS Name: 2-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]aniline IUPAC Name: 2-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]aniline Traditional Name: [2-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C14H24N3+ MolecularWeight: 234.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C2=CC=CC=C2N

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C2=CC=CC=C2N

InChI

InChI=1S/C14H23N3/c1-3-12(2)16-8-10-17(11-9-16)14-7-5-4-6-13(14)15/h4-7,12H,3,8-11,15H2,1-2H3/p+1/t12-/m0/s1