(4R)-4-(4-ethylpiperazine-1,4-diium-1-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-4-(4-ethylpiperazine-1,4-diium-1-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(4-ethylpiperazine-1,4-diium-1-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-4-(4-ethyl-1-piperazine-1,4-diiumyl)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(4-ethylpiperazine-1,4-diium-1-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(4-ethylpiperazine-1,4-diium-1-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H28N3O+3 MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-3-18-7-9-19(10-8-18)14-12-17-11-13-5-4-6-15(20-2)16(13)14/h4-6,14,17H,3,7-12H2,1-2H3/p+3/t14-/m0/s1