3-(pyren-1-ylmethylamino)butane-1,2,4-triol chloride

Systemtic Name: 3-(pyren-1-ylmethylamino)butane-1,2,4-triol chloride Openeye Name: 3-(pyren-1-ylmethylamino)butane-1,2,4-triol chloride CAS Name: 3-(1-pyrenylmethylamino)butane-1,2,4-triol chloride IUPAC Name: 3-(pyren-1-ylmethylamino)butane-1,2,4-triol chloride Traditional Name: 3-(pyren-1-ylmethylamino)butane-1,2,4-triol chloride Formula: C21H21ClNO3- MolecularWeight: 370.84934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(CO)C(CO)O.[Cl-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(CO)C(CO)O.[Cl-]

InChI

InChI=1S/C21H21NO3.ClH/c23-11-18(19(25)12-24)22-10-16-7-6-15-5-4-13-2-1-3-14-8-9-17(16)21(15)20(13)14;/h1-9,18-19,22-25H,10-12H2;1H/p-1