[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C17H22N2O2S/c1-5-19(9-14-7-6-8-22-14)10-15(21)17-11(2)16(13(4)20)12(3)18-17/h6-8,18H,5,9-10H2,1-4H3/p+1