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

Systemtic Name: (4R)-7-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-7-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-7-ethoxy-4-(4-propyl-1-piperazine-1,4-diiumyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-7-ethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-7-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/c1-3-7-20-8-10-21(11-9-20)18-14-19-13-15-12-16(22-4-2)5-6-17(15)18/h5-6,12,18-19H,3-4,7-11,13-14H2,1-2H3/p+3/t18-/m0/s1