N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C26H32N5O3S+ MolecularWeight: 494.62898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C26H31N5O3S/c1-30-16-13-27-26(30)35-18-24(32)29-21-9-5-20(6-10-21)25(33)28-17-23(31-14-3-4-15-31)19-7-11-22(34-2)12-8-19/h5-13,16,23H,3-4,14-15,17-18H2,1-2H3,(H,28,33)(H,29,32)/p+1/t23-/m0/s1