2-[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]ethanoylamino]-5-phenyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]ethanoylamino]-5-phenyl-thiophene-3-carboxamide Openeye Name: 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]acetyl]amino]-5-phenyl-thiophene-3-carboxamide CAS Name: 2-[[2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]acetyl]amino]-5-phenylthiophene-3-carboxamide Traditional Name: 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]acetyl]amino]-5-phenyl-thiophene-3-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H26N4O2S/c1-2-24-10-6-9-15(24)12-22-13-18(25)23-20-16(19(21)26)11-17(27-20)14-7-4-3-5-8-14/h3-5,7-8,11,15,22H,2,6,9-10,12-13H2,1H3,(H2,21,26)(H,23,25)/p+1/t15-/m0/s1