N-(oxan-4-ylmethyl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-(oxan-4-ylmethyl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(tetrahydropyran-4-ylmethyl)benzamide CAS Name: N-(4-oxanylmethyl)-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-(oxan-4-ylmethyl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(tetrahydropyran-4-ylmethyl)benzamide Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3/c29-26(27-20-22-13-18-30-19-14-22)23-6-8-24(9-7-23)31-25-11-16-28(17-12-25)15-10-21-4-2-1-3-5-21/h1-9,22,25H,10-20H2,(H,27,29)/p+1