(1R)-1-[(4S)-octan-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1R)-1-[(4S)-octan-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1R)-1-[(1S)-1-propylpentyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1R)-1-[(4S)-octan-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1R)-1-[(4S)-octan-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1R)-1-[(1S)-1-propylpentyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C17H28NO2+ MolecularWeight: 278.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1C2=CC(=C(C=C2CC[NH2+]1)O)O

Isomeric SMILES

CCCC[C@H](CCC)[C@@H]1C2=CC(=C(C=C2CC[NH2+]1)O)O

InChI

InChI=1S/C17H27NO2/c1-3-5-7-12(6-4-2)17-14-11-16(20)15(19)10-13(14)8-9-18-17/h10-12,17-20H,3-9H2,1-2H3/p+1/t12-,17+/m0/s1