N-[4-methyl-5-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-methyl-5-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[5-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-4-methyl-2-thienyl]furan-2-carboxamide CAS Name: N-[4-methyl-5-[oxo-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[5-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[5-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-4-methyl-2-thienyl]-2-furamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-15-12-19(24-21(26)18-8-5-11-28-18)29-20(15)22(27)23-17-9-10-25(14-17)13-16-6-3-2-4-7-16/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,23,27)(H,24,26)/p+1/t17-/m0/s1