(4R)-4-(azepan-1-ium-1-yl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-4-(azepan-1-ium-1-yl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(azepan-1-ium-1-yl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-4-(1-azepan-1-iumyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(azepan-1-ium-1-yl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(azepan-1-ium-1-yl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H30N2O3+2 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-21-15-10-13-11-19-12-14(20-8-6-4-5-7-9-20)16(13)18(23-3)17(15)22-2/h10,14,19H,4-9,11-12H2,1-3H3/p+2/t14-/m0/s1