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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(1S)-1-methylpropyl]piperazin-4-ium CAS Name: 1-[(2S)-butan-2-yl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(2S)-butan-2-yl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(1S)-1-methylpropyl]piperazin-4-ium Formula: C15H25N2+ MolecularWeight: 233.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H24N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/p+1/t14-/m0/s1