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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H29N3O2/c1-5-24-16(2)13-20(17(24)3)21(25)15-22-9-11-23(12-10-22)18-7-6-8-19(14-18)26-4/h6-8,13-14H,5,9-12,15H2,1-4H3/p+1