(2S)-1-(2-tert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C18H30N2O2/c1-18(2,3)16-7-5-6-8-17(16)22-14-15(21)13-20-11-9-19(4)10-12-20/h5-8,15,21H,9-14H2,1-4H3/p+1/t15-/m0/s1