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

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

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

Isomeric SMILES

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

InChI

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