1-[(4-azanyl-3-iodanyl-5-methyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[(4-azanyl-3-iodanyl-5-methyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(4-amino-3-iodo-5-methyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[(4-amino-3-iodo-5-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(4-amino-3-iodo-5-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(4-amino-3-iodo-5-methyl-benzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C17H19IN2O2 MolecularWeight: 410.24943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC2C3=CC(=C(C=C3CCN2)O)O)I)N

Isomeric SMILES

CC1=C(C(=CC(=C1)CC2C3=CC(=C(C=C3CCN2)O)O)I)N

InChI

InChI=1S/C17H19IN2O2/c1-9-4-10(5-13(18)17(9)19)6-14-12-8-16(22)15(21)7-11(12)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6,19H2,1H3