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

Systemtic Name: 3-chloranyl-N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-chloro-N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3-chloro-N-[2-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3-chloro-N-[2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide Traditional Name: 3-chloro-N-[2-keto-2-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]benzamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-29-19-9-7-16(8-10-19)20(26-11-2-3-12-26)14-24-21(27)15-25-22(28)17-5-4-6-18(23)13-17/h4-10,13,20H,2-3,11-12,14-15H2,1H3,(H,24,27)(H,25,28)/p+1/t20-/m0/s1