1-(16-isoquinolin-2-ium-1-ylhexadecyl)isoquinolin-2-ium dichloride

Systemtic Name: 1-(16-isoquinolin-2-ium-1-ylhexadecyl)isoquinolin-2-ium dichloride Openeye Name: 1-(16-isoquinolin-2-ium-1-ylhexadecyl)isoquinolin-2-ium dichloride CAS Name: 1-[16-(1-isoquinolin-2-iumyl)hexadecyl]isoquinolin-2-ium dichloride IUPAC Name: 1-(16-isoquinolin-2-ium-1-ylhexadecyl)isoquinolin-2-ium dichloride Traditional Name: 1-(16-isoquinolin-2-ium-1-ylhexadecyl)isoquinolin-2-ium dichloride Formula: C34H46Cl2N2 MolecularWeight: 553.64844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[NH+]=C2CCCCCCCCCCCCCCCCC3=[NH+]C=CC4=CC=CC=C43.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C[NH+]=C2CCCCCCCCCCCCCCCCC3=[NH+]C=CC4=CC=CC=C43.[Cl-].[Cl-]

InChI

InChI=1S/C34H44N2.2ClH/c1(3-5-7-9-11-13-23-33-31-21-17-15-19-29(31)25-27-35-33)2-4-6-8-10-12-14-24-34-32-22-18-16-20-30(32)26-28-36-34;;/h15-22,25-28H,1-14,23-24H2;2*1H