4-(5,5-dimethyl-2-phenyl-3-propan-2-ylsulfanyl-1,2-dihydropyrrol-1-ium-4-yl)-2-methyl-pyridin-1-ium

Systemtic Name: 4-(5,5-dimethyl-2-phenyl-3-propan-2-ylsulfanyl-1,2-dihydropyrrol-1-ium-4-yl)-2-methyl-pyridin-1-ium Openeye Name: 4-(3-isopropylsulfanyl-5,5-dimethyl-2-phenyl-1,2-dihydropyrrol-1-ium-4-yl)-2-methyl-pyridin-1-ium CAS Name: 4-[5,5-dimethyl-2-phenyl-3-(propan-2-ylthio)-1,2-dihydropyrrol-1-ium-4-yl]-2-methylpyridin-1-ium IUPAC Name: 4-(5,5-dimethyl-2-phenyl-3-propan-2-ylsulfanyl-1,2-dihydropyrrol-1-ium-4-yl)-2-methylpyridin-1-ium Traditional Name: 4-[4-(isopropylthio)-2,2-dimethyl-5-phenyl-3-pyrrolin-1-ium-3-yl]-2-methyl-pyridin-1-ium Formula: C21H28N2S+2 MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)C2=C(C([NH2+]C2(C)C)C3=CC=CC=C3)SC(C)C

Isomeric SMILES

CC1=[NH+]C=CC(=C1)C2=C(C([NH2+]C2(C)C)C3=CC=CC=C3)SC(C)C

InChI

InChI=1S/C21H26N2S/c1-14(2)24-20-18(17-11-12-22-15(3)13-17)21(4,5)23-19(20)16-9-7-6-8-10-16/h6-14,19,23H,1-5H3/p+2