4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H27ClN3O4+ MolecularWeight: 432.92048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Cl)OCC(=O)N

InChI

InChI=1S/C22H26ClN3O4/c1-29-19-11-17(10-18(23)21(19)30-14-20(24)27)22(28)25-12-15-6-2-3-7-16(15)13-26-8-4-5-9-26/h2-3,6-7,10-11H,4-5,8-9,12-14H2,1H3,(H2,24,27)(H,25,28)/p+1