2-(2-pyridin-1-ium-2-ylethyl)isoquinolin-2-ium dichloride

Systemtic Name: 2-(2-pyridin-1-ium-2-ylethyl)isoquinolin-2-ium dichloride Openeye Name: 2-(2-pyridin-1-ium-2-ylethyl)isoquinolin-2-ium dichloride CAS Name: 2-[2-(2-pyridin-1-iumyl)ethyl]isoquinolin-2-ium dichloride IUPAC Name: 2-(2-pyridin-1-ium-2-ylethyl)isoquinolin-2-ium dichloride Traditional Name: 2-(2-pyridin-1-ium-2-ylethyl)isoquinolin-2-ium dichloride Formula: C16H16Cl2N2 MolecularWeight: 307.21764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCC3=CC=CC=[NH+]3.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCC3=CC=CC=[NH+]3.[Cl-].[Cl-]

InChI

InChI=1S/C16H15N2.2ClH/c1-2-6-15-13-18(11-8-14(15)5-1)12-9-16-7-3-4-10-17-16;;/h1-8,10-11,13H,9,12H2;2*1H/q+1;;/p-1