N-[[(3S)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(3S)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(3S)-1-ethyl-5-oxo-pyrrolidin-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[[(3S)-1-ethyl-5-oxo-3-pyrrolidinyl]methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(3S)-1-ethyl-5-keto-pyrrolidin-3-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CC1=O)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C[C@@H](CC1=O)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-2-30-20-22(18-26(30)31)19-28-27(32)23-8-10-24(11-9-23)33-25-13-16-29(17-14-25)15-12-21-6-4-3-5-7-21/h3-11,22,25H,2,12-20H2,1H3,(H,28,32)/p+1/t22-/m0/s1