1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-5-14(2)19-10-8-18(9-11-19)13-15-12-16(20-3)6-7-17(15)21-4/h6-7,12,14H,5,8-11,13H2,1-4H3/p+2/t14-/m0/s1