3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[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=C2)N

Isomeric SMILES

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

InChI

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