(2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C18H31N2O3+ MolecularWeight: 323.45034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC[C@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C18H30N2O3/c1-15-5-4-6-16(2)18(15)23-12-11-22-14-17(21)13-20-9-7-19(3)8-10-20/h4-6,17,21H,7-14H2,1-3H3/p+1/t17-/m0/s1