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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3O3/c1-14-20(16(3)25)15(2)22-21(14)19(26)13-23-8-10-24(11-9-23)17-6-5-7-18(12-17)27-4/h5-7,12,22H,8-11,13H2,1-4H3/p+1