(4R)-4-(azepan-1-ium-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-4-(azepan-1-ium-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(azepan-1-ium-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-4-(1-azepan-1-iumyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(azepan-1-ium-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(azepan-1-ium-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(C[NH2+]CC2=C1)[NH+]3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C2[C@H](C[NH2+]CC2=C1)[NH+]3CCCCCC3)OC

InChI

InChI=1S/C17H26N2O2/c1-20-16-9-13-11-18-12-15(14(13)10-17(16)21-2)19-7-5-3-4-6-8-19/h9-10,15,18H,3-8,11-12H2,1-2H3/p+2/t15-/m0/s1