N-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(4R)-2,2-dimethyl-4-oxanyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(4R)-2,2-dimethyloxan-4-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C[C@@H](CCO1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H36N2O3/c1-27(2)20-23(15-19-31-27)28-26(30)22-8-10-24(11-9-22)32-25-13-17-29(18-14-25)16-12-21-6-4-3-5-7-21/h3-11,23,25H,12-20H2,1-2H3,(H,28,30)/p+1/t23-/m1/s1