(2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol Formula: C19H34N2O3+2 MolecularWeight: 338.48486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3/c1-15(2)19-5-4-18(12-16(19)3)24-14-17(23)13-21-8-6-20(7-9-21)10-11-22/h4-5,12,15,17,22-23H,6-11,13-14H2,1-3H3/p+2/t17-/m0/s1