1-[2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 1-[2,4-dimethyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O2/c1-12-16(14(3)23)13(2)20-17(12)18(24)22-10-8-21(9-11-22)15-6-4-5-7-19-15/h4-7,20H,8-11H2,1-3H3/p+1