(4R)-7-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-7-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-7-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-7-ethoxy-4-(4-methyl-1-piperazine-1,4-diiumyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-7-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-7-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H28N3O+3 MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(C[NH2+]C2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[C@H](C[NH2+]C2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C16H25N3O/c1-3-20-14-4-5-15-13(10-14)11-17-12-16(15)19-8-6-18(2)7-9-19/h4-5,10,16-17H,3,6-9,11-12H2,1-2H3/p+3/t16-/m0/s1