4-[(1S)-1-(4-azanylpiperidin-1-ium-1-yl)ethyl]benzene-1,3-diol

Systemtic Name: 4-[(1S)-1-(4-azanylpiperidin-1-ium-1-yl)ethyl]benzene-1,3-diol Openeye Name: 4-[(1S)-1-(4-aminopiperidin-1-ium-1-yl)ethyl]benzene-1,3-diol CAS Name: 4-[(1S)-1-(4-amino-1-piperidin-1-iumyl)ethyl]benzene-1,3-diol IUPAC Name: 4-[(1S)-1-(4-aminopiperidin-1-ium-1-yl)ethyl]benzene-1,3-diol Traditional Name: 4-[(1S)-1-(4-aminopiperidin-1-ium-1-yl)ethyl]resorcinol Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)O)O)[NH+]2CCC(CC2)N

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)O)O)[NH+]2CCC(CC2)N

InChI

InChI=1S/C13H20N2O2/c1-9(15-6-4-10(14)5-7-15)12-3-2-11(16)8-13(12)17/h2-3,8-10,16-17H,4-7,14H2,1H3/p+1/t9-/m0/s1