N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H39N3O2+2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-29-16-5-8-23(21-29)20-28-27(31)24-9-11-25(12-10-24)32-26-14-18-30(19-15-26)17-13-22-6-3-2-4-7-22/h2-4,6-7,9-12,23,26H,5,8,13-21H2,1H3,(H,28,31)/p+2/t23-/m1/s1