4-[[4-[(2S)-butan-2-yl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(2S)-butan-2-yl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(1S)-1-methylpropyl]piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4-[[4-[(2S)-butan-2-yl]-1-piperazine-1,4-diiumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(2S)-butan-2-yl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 2,6-dimethoxy-4-[[4-[(1S)-1-methylpropyl]piperazine-1,4-diium-1-yl]methyl]phenol Formula: C17H30N2O3+2 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O3/c1-5-13(2)19-8-6-18(7-9-19)12-14-10-15(21-3)17(20)16(11-14)22-4/h10-11,13,20H,5-9,12H2,1-4H3/p+2/t13-/m0/s1