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

Systemtic Name: 3-bromanyl-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-keto-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]benzamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3/c1-29-20-10-3-2-9-18(20)19(26-11-4-5-12-26)14-24-21(27)15-25-22(28)16-7-6-8-17(23)13-16/h2-3,6-10,13,19H,4-5,11-12,14-15H2,1H3,(H,24,27)(H,25,28)/p+1/t19-/m0/s1