1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H30N3O3+ MolecularWeight: 384.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-17-15-20(18(2)25(17)13-14-28-3)21(26)16-23-9-11-24(12-10-23)22(27)19-7-5-4-6-8-19/h4-8,15H,9-14,16H2,1-3H3/p+1