1-[5-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H23N3O3/c1-12-16(14(3)22)13(2)19-17(12)18(23)21-8-6-20(7-9-21)11-15-5-4-10-24-15/h4-5,10,19H,6-9,11H2,1-3H3/p+1