(2S)-1-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C15H24ClN2O2+ MolecularWeight: 299.81626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN2O2/c1-12-9-13(16)3-4-15(12)20-11-14(19)10-18-7-5-17(2)6-8-18/h3-4,9,14,19H,5-8,10-11H2,1-2H3/p+1/t14-/m0/s1