(4R)-5-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-5-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-5-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-5-ethoxy-4-(4-propyl-1-piperazine-1,4-diiumyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-5-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-5-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H32N3O+3 MolecularWeight: 306.46618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-3-8-20-9-11-21(12-10-20)16-14-19-13-15-6-5-7-17(18(15)16)22-4-2/h5-7,16,19H,3-4,8-14H2,1-2H3/p+3/t16-/m0/s1