N-[(2S)-1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]thiophene-2-carboxamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C27H31N3O3S/c1-33-22-12-7-11-21(18-22)24(30-14-5-6-15-30)19-28-26(31)23(17-20-9-3-2-4-10-20)29-27(32)25-13-8-16-34-25/h2-4,7-13,16,18,23-24H,5-6,14-15,17,19H2,1H3,(H,28,31)(H,29,32)/p+1/t23-,24-/m0/s1