[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]azanium

Systemtic Name: [(S)-(4-methylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]azanium Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-[(S)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]ammonium IUPAC Name: [(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium Traditional Name: [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-[(S)-p-tolyl(2-thienyl)methyl]ammonium Formula: C23H26N3O2S+ MolecularWeight: 408.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CS2)[NH2+]CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H25N3O2S/c1-16-6-8-17(9-7-16)22(21-5-4-12-29-21)25-15-20(27)18-13-19(24-14-18)23(28)26-10-2-3-11-26/h4-9,12-14,22,24-25H,2-3,10-11,15H2,1H3/p+1/t22-/m0/s1