4-(5-chloranylthiophen-2-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide Openeye Name: 4-(5-chloro-2-thienyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxobutanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxobutanamide Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butyramide Formula: C21H26ClN2O3S+ MolecularWeight: 421.96074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC(=O)C2=CC=C(S2)Cl)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)CCC(=O)C2=CC=C(S2)Cl)[NH+]3CCCC3

InChI

InChI=1S/C21H25ClN2O3S/c1-27-16-6-4-15(5-7-16)17(24-12-2-3-13-24)14-23-21(26)11-8-18(25)19-9-10-20(22)28-19/h4-7,9-10,17H,2-3,8,11-14H2,1H3,(H,23,26)/p+1/t17-/m1/s1