2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium trichloride

Systemtic Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium trichloride Openeye Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium trichloride CAS Name: 2-[16-(2-isoquinolin-2-iumyl)hexadecyl]isoquinolin-2-ium trichloride IUPAC Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium trichloride Traditional Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium trichloride Formula: C34H46Cl3N2- MolecularWeight: 589.10144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C34H46N2.3ClH/c1(3-5-7-9-11-17-25-35-27-23-31-19-13-15-21-33(31)29-35)2-4-6-8-10-12-18-26-36-28-24-32-20-14-16-22-34(32)30-36;;;/h13-16,19-24,27-30H,1-12,17-18,25-26H2;3*1H/q+2;;;/p-3