1-[2-[4-[(2S)-butan-2-yl]phenoxy]ethyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[2-[4-[(2S)-butan-2-yl]phenoxy]ethyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-ethyl-4-[2-[4-[(1S)-1-methylpropyl]phenoxy]ethyl]piperazine-1,4-diium CAS Name: 1-[2-[4-[(2S)-butan-2-yl]phenoxy]ethyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[2-[4-[(2S)-butan-2-yl]phenoxy]ethyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-ethyl-4-[2-[4-[(1S)-1-methylpropyl]phenoxy]ethyl]piperazine-1,4-diium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC

InChI

InChI=1S/C18H30N2O/c1-4-16(3)17-6-8-18(9-7-17)21-15-14-20-12-10-19(5-2)11-13-20/h6-9,16H,4-5,10-15H2,1-3H3/p+2/t16-/m0/s1