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

Systemtic Name: N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]-3-phenyl-propanamide Openeye Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-3-phenyl-propanamide CAS Name: N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]-3-phenylpropanamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-3-phenylpropanamide Traditional Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-3-phenyl-propionamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCC2=CC=CC=C2)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCC2=CC=CC=C2)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C24H31N3O4/c1-30-21-16-20(26-24(29)17-27-13-7-4-8-14-27)22(31-2)15-19(21)25-23(28)12-11-18-9-5-3-6-10-18/h3,5-6,9-10,15-16H,4,7-8,11-14,17H2,1-2H3,(H,25,28)(H,26,29)/p+1