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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-30-20-12-10-18(11-13-20)21(27-14-6-3-7-15-27)16-25-23(29)22-17-26-24(31)28(22)19-8-4-2-5-9-19/h2,4-5,8-13,17,21H,3,6-7,14-16H2,1H3,(H,25,29)(H,26,31)/p+1/t21-/m0/s1