(4R)-4-(azepan-1-ium-1-yl)-6-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-4-(azepan-1-ium-1-yl)-6-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(azepan-1-ium-1-yl)-6-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-4-(1-azepan-1-iumyl)-6-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(azepan-1-ium-1-yl)-6-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(azepan-1-ium-1-yl)-6-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H28N2O+2 MolecularWeight: 276.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C[NH2+]CC2[NH+]3CCCCCC3)C=C1

Isomeric SMILES

CCOC1=CC2=C(C[NH2+]C[C@@H]2[NH+]3CCCCCC3)C=C1

InChI

InChI=1S/C17H26N2O/c1-2-20-15-8-7-14-12-18-13-17(16(14)11-15)19-9-5-3-4-6-10-19/h7-8,11,17-18H,2-6,9-10,12-13H2,1H3/p+2/t17-/m0/s1