1-azanylethylidene-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]azanium dibromide

Systemtic Name: 1-azanylethylidene-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]azanium dibromide Openeye Name: 1-aminoethylidene-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ammonium dibromide CAS Name: 1-aminoethylidene-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ammonium dibromide IUPAC Name: 1-aminoethylidene-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]azanium dibromide Traditional Name: 1-aminoethylidene-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]ammonium dibromide Formula: C18H23Br2N3 MolecularWeight: 441.20332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C1=CC=CC(=C1)C[NH+]2CCC3=CC=CC=C3C2)N.[Br-].[Br-]

Isomeric SMILES

CC(=[NH+]C1=CC=CC(=C1)C[NH+]2CCC3=CC=CC=C3C2)N.[Br-].[Br-]

InChI

InChI=1S/C18H21N3.2BrH/c1-14(19)20-18-8-4-5-15(11-18)12-21-10-9-16-6-2-3-7-17(16)13-21;;/h2-8,11H,9-10,12-13H2,1H3,(H2,19,20);2*1H