(2,3,4,5,6-pentamethylphenyl)methylsulfanyl-pyrrol-1-ium-2-ylidene-methanamine

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methylsulfanyl-pyrrol-1-ium-2-ylidene-methanamine Openeye Name: (2,3,4,5,6-pentamethylphenyl)methylsulfanyl-pyrrol-1-ium-2-ylidene-methanamine CAS Name: [(2,3,4,5,6-pentamethylphenyl)methylthio]-(2-pyrrol-1-iumylidene)methanamine IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methylsulfanyl-pyrrol-1-ium-2-ylidenemethanamine Traditional Name: [[(2,3,4,5,6-pentamethylbenzyl)thio]-pyrrol-1-ium-2-ylidene-methyl]amine Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=C2C=CC=[NH+]2)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC(=C2C=CC=[NH+]2)N)C)C

InChI

InChI=1S/C17H22N2S/c1-10-11(2)13(4)15(14(5)12(10)3)9-20-17(18)16-7-6-8-19-16/h6-8H,9,18H2,1-5H3/p+1