1-methyl-1-(2-methylsulfanylethyl)-4-naphthalen-1-yl-pyrrol-1-ium-2-carboxamide

Systemtic Name: 1-methyl-1-(2-methylsulfanylethyl)-4-naphthalen-1-yl-pyrrol-1-ium-2-carboxamide Openeye Name: 1-methyl-1-(2-methylsulfanylethyl)-4-(1-naphthyl)pyrrol-1-ium-2-carboxamide CAS Name: 1-methyl-1-[2-(methylthio)ethyl]-4-(1-naphthalenyl)-2-pyrrol-1-iumcarboxamide IUPAC Name: 1-methyl-1-(2-methylsulfanylethyl)-4-naphthalen-1-ylpyrrol-1-ium-2-carboxamide Traditional Name: 1-methyl-1-[2-(methylthio)ethyl]-4-(1-naphthyl)pyrrol-1-ium-2-carboxamide Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C=C1C(=O)N)C2=CC=CC3=CC=CC=C32)CCSC

Isomeric SMILES

C[N+]1(C=C(C=C1C(=O)N)C2=CC=CC3=CC=CC=C32)CCSC

InChI

InChI=1S/C19H20N2OS/c1-21(10-11-23-2)13-15(12-18(21)19(20)22)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13H,10-11H2,1-2H3,(H-,20,22)/p+1