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

Systemtic Name: (4R)-6-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-6-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-6-ethoxy-4-(4-methyl-1-piperazine-1,4-diiumyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-6-ethoxy-4-(4-methylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-6-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[NH2+]CC2[NH+]3CC[NH+](CC3)C)C=C1

Isomeric SMILES

CCOC1=CC2=C(C[NH2+]C[C@@H]2[NH+]3CC[NH+](CC3)C)C=C1

InChI

InChI=1S/C16H25N3O/c1-3-20-14-5-4-13-11-17-12-16(15(13)10-14)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