N-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]butyl]thiophene-2-carboxamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CCCNC(=O)C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CCCNC(=O)C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-28-19-9-3-2-8-17(19)18(25-13-4-5-14-25)16-24-21(26)11-6-12-23-22(27)20-10-7-15-29-20/h2-3,7-10,15,18H,4-6,11-14,16H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m0/s1