2-[1-ethyl-1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-ethyl-1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[1-ethyl-1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[1-ethyl-1,4-dimethyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[1-ethyl-1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[1-ethyl-1,4-dimethyl-5-(4-methylthiobenzoyl)pyrrol-1-ium-2-yl]acetamide Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=CC(=C1C(=S)C2=CC=C(C=C2)C)C)CC(=O)N)C

Isomeric SMILES

CC[N+]1(C(=CC(=C1C(=S)C2=CC=C(C=C2)C)C)CC(=O)N)C

InChI

InChI=1S/C18H22N2OS/c1-5-20(4)15(11-16(19)21)10-13(3)17(20)18(22)14-8-6-12(2)7-9-14/h6-10H,5,11H2,1-4H3,(H-,19,21)/p+1