N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-thenoyl)isonipecotamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C24H31N3O3S/c1-30-21-8-3-2-7-19(21)20(26-12-4-5-13-26)17-25-23(28)18-10-14-27(15-11-18)24(29)22-9-6-16-31-22/h2-3,6-9,16,18,20H,4-5,10-15,17H2,1H3,(H,25,28)/p+1/t20-/m0/s1