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

Systemtic Name: N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]cyclohexanecarboxamide Openeye Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide CAS Name: N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide Traditional Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]cyclohexanecarboxamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCCCC2)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCCCC2)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C22H33N3O4/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/h13-14,16H,3-12,15H2,1-2H3,(H,23,26)(H,24,27)/p+1