N-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenyl]acetamide CAS Name: N-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenyl]acetamide IUPAC Name: N-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenyl]acetamide Traditional Name: N-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenyl]acetamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)NC(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC=C(C=C3)NC(=O)C)OCC

InChI

InChI=1S/C21H26N2O3/c1-4-25-19-12-16-10-11-22-21(18(16)13-20(19)26-5-2)15-6-8-17(9-7-15)23-14(3)24/h6-9,12-13,21-22H,4-5,10-11H2,1-3H3,(H,23,24)/p+1/t21-/m1/s1