4,6-dimethyl-2-(5-pyridin-1-ium-1-ylpentylsulfanyl)pyrimidine

Systemtic Name: 4,6-dimethyl-2-(5-pyridin-1-ium-1-ylpentylsulfanyl)pyrimidine Openeye Name: 4,6-dimethyl-2-(5-pyridin-1-ium-1-ylpentylsulfanyl)pyrimidine CAS Name: 4,6-dimethyl-2-[5-(1-pyridin-1-iumyl)pentylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-(5-pyridin-1-ium-1-ylpentylsulfanyl)pyrimidine Traditional Name: 4,6-dimethyl-2-(5-pyridin-1-ium-1-ylpentylthio)pyrimidine Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCCC[N+]2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCCC[N+]2=CC=CC=C2)C

InChI

InChI=1S/C16H22N3S/c1-14-13-15(2)18-16(17-14)20-12-8-4-7-11-19-9-5-3-6-10-19/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3/q+1