(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methyl-[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]azanium

Systemtic Name: (2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methyl-[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]azanium Openeye Name: [(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methyl]ammonium CAS Name: (2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methyl-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]ammonium IUPAC Name: (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium Traditional Name: [(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methyl]ammonium Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C[NH2+]C(C)C(C2=CC=C(C=C2)O)O

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C[NH2+][C@H](C)[C@H](C2=CC=C(C=C2)O)O

InChI

InChI=1S/C19H28N2O2/c1-12(2)21-13(3)10-17(15(21)5)11-20-14(4)19(23)16-6-8-18(22)9-7-16/h6-10,12,14,19-20,22-23H,11H2,1-5H3/p+1/t14-,19-/m1/s1