N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-3-phenoxy-benzamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-3-phenoxy-benzamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-phenoxy-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-phenoxybenzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-phenoxybenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-phenoxy-benzamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c30-25(27-21-9-3-1-4-10-21)19-29-16-14-22(15-17-29)28-26(31)20-8-7-13-24(18-20)32-23-11-5-2-6-12-23/h1-13,18,22H,14-17,19H2,(H,27,30)(H,28,31)/p+1