2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxy-phenol

Systemtic Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxy-phenol Openeye Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxy-phenol CAS Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-6-ethoxyphenol IUPAC Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxyphenol Traditional Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-neopentyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C20H35N2O3+ MolecularWeight: 351.5035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)CC(C)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)CC(C)(C)C

InChI

InChI=1S/C20H34N2O3/c1-5-25-18-8-6-7-16(19(18)24)13-21-10-11-22(15-20(2,3)4)17(14-21)9-12-23/h6-8,17,23-24H,5,9-15H2,1-4H3/p+1/t17-/m0/s1