(2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-isopropyl-5-methyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-isopropyl-5-methyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](CN2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C22H31N3O2/c1-17(2)20-8-7-18(3)14-21(20)27-16-19(26)15-24-10-12-25(13-11-24)22-6-4-5-9-23-22/h4-9,14,17,19,26H,10-13,15-16H2,1-3H3/p+1/t19-/m0/s1