(3R)-N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C18H26N2O/c1-2-20(16-10-4-3-5-11-16)18(21)17-12-14-8-6-7-9-15(14)13-19-17/h6-9,16-17,19H,2-5,10-13H2,1H3/p+1/t17-/m1/s1