N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C23H26N4O2S/c1-29-21-12-6-5-11-18(21)19(26-13-7-8-14-26)15-24-22(28)20-16-25-23(30)27(20)17-9-3-2-4-10-17/h2-6,9-12,16,19H,7-8,13-15H2,1H3,(H,24,28)(H,25,30)/p+1/t19-/m0/s1