1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H29N3O2/c1-5-10-26-17(2)15-22(18(26)3)23(28)16-24-11-13-25(14-12-24)21-8-6-20(7-9-21)19(4)27/h5-9,15H,1,10-14,16H2,2-4H3/p+1