(2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C15H25ClN2O2+2 MolecularWeight: 300.8242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CC[NH+](CC2)C)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CC[NH+](CC2)C)O)Cl

InChI

InChI=1S/C15H23ClN2O2/c1-12-9-14(3-4-15(12)16)20-11-13(19)10-18-7-5-17(2)6-8-18/h3-4,9,13,19H,5-8,10-11H2,1-2H3/p+2/t13-/m0/s1