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

Systemtic Name: N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]benzamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-28-19-14-18(24-22(27)16-9-5-3-6-10-16)20(29-2)13-17(19)23-21(26)15-25-11-7-4-8-12-25/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,23,26)(H,24,27)/p+1