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

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H29N3O3/c1-16-14-21(17(2)26(16)19-6-8-20(29-3)9-7-19)22(27)15-24-10-12-25(13-11-24)23(28)18-4-5-18/h6-9,14,18H,4-5,10-13,15H2,1-3H3/p+1