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

Systemtic Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperazine-1,4-diiumyl)-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-isopropyl-3-methyl-phenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-14(2)18-6-5-17(11-15(18)3)22-13-16(21)12-20-9-7-19(4)8-10-20/h5-6,11,14,16,21H,7-10,12-13H2,1-4H3/p+2/t16-/m0/s1