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

Systemtic Name: (4R)-6-ethoxy-4-(4-ethylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-6-ethoxy-4-(4-ethylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-6-ethoxy-4-(4-ethyl-1-piperazine-1,4-diiumyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-6-ethoxy-4-(4-ethylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-6-ethoxy-4-(4-ethylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H30N3O+3 MolecularWeight: 292.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2C[NH2+]CC3=C2C=C(C=C3)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H]2C[NH2+]CC3=C2C=C(C=C3)OCC

InChI

InChI=1S/C17H27N3O/c1-3-19-7-9-20(10-8-19)17-13-18-12-14-5-6-15(21-4-2)11-16(14)17/h5-6,11,17-18H,3-4,7-10,12-13H2,1-2H3/p+3/t17-/m0/s1