[(1R,2S)-1-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-butan-2-yl]-propan-2-yl-azanium

Systemtic Name: [(1R,2S)-1-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-butan-2-yl]-propan-2-yl-azanium Openeye Name: [(1S)-1-[(R)-(3,4-dihydroxyphenyl)-hydroxy-methyl]propyl]-isopropyl-ammonium CAS Name: [(1R,2S)-1-(3,4-dihydroxyphenyl)-1-hydroxybutan-2-yl]-propan-2-ylammonium IUPAC Name: [(1R,2S)-1-(3,4-dihydroxyphenyl)-1-hydroxybutan-2-yl]-propan-2-ylazanium Traditional Name: [(1S)-1-[(R)-(3,4-dihydroxyphenyl)-hydroxy-methyl]propyl]-isopropyl-ammonium Formula: C13H22NO3+ MolecularWeight: 240.31868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C=C1)O)O)O)[NH2+]C(C)C

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)[NH2+]C(C)C

InChI

InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3/p+1/t10-,13+/m0/s1