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

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C25H33N3O3/c1-18-16-23(19(2)28(18)11-10-20-4-8-22(31-3)9-5-20)24(29)17-26-12-14-27(15-13-26)25(30)21-6-7-21/h4-5,8-9,16,21H,6-7,10-15,17H2,1-3H3/p+1