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

Systemtic Name: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-ethyl-(2-thenyl)ammonium Formula: C18H25N2O2S+ MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2S/c1-6-20(10-15-8-7-9-23-15)13(4)18(22)17-11(2)16(14(5)21)12(3)19-17/h7-9,13,19H,6,10H2,1-5H3/p+1/t13-/m1/s1