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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCOCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCCOC[C@H](CN2CC[NH+](CC2)C)O

InChI

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