1-[[2,4,6-trimethyl-3-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dichloride

Systemtic Name: 1-[[2,4,6-trimethyl-3-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dichloride Openeye Name: 1-[[2,4,6-trimethyl-3-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dichloride CAS Name: 1-[[2,4,6-trimethyl-3-(1-pyridin-1-iumylmethyl)phenyl]methyl]pyridin-1-ium dichloride IUPAC Name: 1-[[2,4,6-trimethyl-3-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dichloride Traditional Name: 1-[2,4,6-trimethyl-3-(pyridin-1-ium-1-ylmethyl)benzyl]pyridin-1-ium dichloride Formula: C21H24Cl2N2 MolecularWeight: 375.33466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C[N+]2=CC=CC=C2)C)C[N+]3=CC=CC=C3)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1C[N+]2=CC=CC=C2)C)C[N+]3=CC=CC=C3)C.[Cl-].[Cl-]

InChI

InChI=1S/C21H24N2.2ClH/c1-17-14-18(2)21(16-23-12-8-5-9-13-23)19(3)20(17)15-22-10-6-4-7-11-22;;/h4-14H,15-16H2,1-3H3;2*1H/q+2;;/p-2