(3S)-N-cyclohexyl-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclohexyl-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-cyclohexyl-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-cyclohexyl-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-cyclohexyl-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-cyclohexyl-2-(3-ethoxy-4-hydroxy-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC3=CC=CC=C3CC2C(=O)NC4CCCCC4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)NC4CCCCC4)O

InChI

InChI=1S/C25H32N2O3/c1-2-30-24-14-18(12-13-23(24)28)16-27-17-20-9-7-6-8-19(20)15-22(27)25(29)26-21-10-4-3-5-11-21/h6-9,12-14,21-22,28H,2-5,10-11,15-17H2,1H3,(H,26,29)/p+1/t22-/m0/s1