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

Systemtic Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-28-19-11-9-17(10-12-19)20(25-13-5-6-14-25)15-23-21(26)16-24-22(27)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/p+1/t20-/m0/s1