(4R)-4-(azepan-1-ium-1-yl)-5-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-4-(azepan-1-ium-1-yl)-5-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(azepan-1-ium-1-yl)-5-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-4-(1-azepan-1-iumyl)-5-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(azepan-1-ium-1-yl)-5-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(azepan-1-ium-1-yl)-5-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=CC=CC2=C1C(C[NH2+]C2)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC2=C1[C@H](C[NH2+]C2)[NH+]3CCCCCC3

InChI

InChI=1S/C17H26N2O/c1-2-20-16-9-7-8-14-12-18-13-15(17(14)16)19-10-5-3-4-6-11-19/h7-9,15,18H,2-6,10-13H2,1H3/p+2/t15-/m0/s1