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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-28-20-12-16(8-9-19(20)29-15-21(23)26)22(27)24-13-17-6-2-3-7-18(17)14-25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13-15H2,1H3,(H2,23,26)(H,24,27)/p+1