methyl-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: methyl-[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH+](C)CC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O2S/c1-13(17-6-5-9-24-17)20(2)12-16(22)14-10-15(19-11-14)18(23)21-7-3-4-8-21/h5-6,9-11,13,19H,3-4,7-8,12H2,1-2H3/p+1/t13-/m0/s1