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

Systemtic Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride Openeye Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride CAS Name: 2-[16-(2-isoquinolin-2-iumyl)hexadecyl]isoquinolin-2-ium dichloride IUPAC Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride Traditional Name: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride Formula: C34H46Cl2N2 MolecularWeight: 553.64844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46N2.2ClH/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;2*1H/q+2;;/p-2