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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-5-9-25-17(2)14-21(18(25)3)22(26)16-23-10-12-24(13-11-23)19-7-6-8-20(15-19)27-4/h5-8,14-15H,1,9-13,16H2,2-4H3/p+1