2-[1-(2-diethylaminoethyl)-5-(phenylcarbonyl)-1-(phenylmethyl)pyrrol-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-diethylaminoethyl)-5-(phenylcarbonyl)-1-(phenylmethyl)pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[5-benzoyl-1-benzyl-1-(2-diethylaminoethyl)pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[5-benzoyl-1-(2-diethylaminoethyl)-1-(phenylmethyl)-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[5-benzoyl-1-benzyl-1-(2-diethylaminoethyl)pyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[5-benzoyl-1-benzyl-1-(2-diethylaminoethyl)pyrrol-1-ium-2-yl]acetamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1(C(=CC=C1C(=O)C2=CC=CC=C2)CC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC[N+]1(C(=CC=C1C(=O)C2=CC=CC=C2)CC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O2/c1-3-28(4-2)17-18-29(20-21-11-7-5-8-12-21)23(19-25(27)30)15-16-24(29)26(31)22-13-9-6-10-14-22/h5-16H,3-4,17-20H2,1-2H3,(H-,27,30)/p+1