N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c31-26-8-4-17-30(26)18-5-16-28-27(32)23-9-11-24(12-10-23)33-25-14-20-29(21-15-25)19-13-22-6-2-1-3-7-22/h1-3,6-7,9-12,25H,4-5,8,13-21H2,(H,28,32)/p+1