1-[(2S)-butan-2-yl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-ethoxybenzyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-4-15(3)19-12-10-18(11-13-19)14-16-6-8-17(9-7-16)20-5-2/h6-9,15H,4-5,10-14H2,1-3H3/p+2/t15-/m0/s1