3-chloranyl-N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]benzamide Openeye Name: 3-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]benzamide CAS Name: 3-chloro-N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]benzamide Traditional Name: 3-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]benzamide Formula: C22H27ClN3O4+ MolecularWeight: 432.92048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)Cl)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)Cl)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C22H26ClN3O4/c1-29-19-13-18(25-22(28)15-7-6-8-16(23)11-15)20(30-2)12-17(19)24-21(27)14-26-9-4-3-5-10-26/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,24,27)(H,25,28)/p+1