1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C18H22BrN2O2+ MolecularWeight: 378.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C18H21BrN2O2/c1-13-11-17(18(22)12-20-7-9-23-10-8-20)14(2)21(13)16-5-3-15(19)4-6-16/h3-6,11H,7-10,12H2,1-2H3/p+1