5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 5-methyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 5-methyl-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 5-methyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 5-methyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyrrol-1-yl-3-furonitrile Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H19N5O2/c1-15-18(16(14-21)20(27-15)25-8-4-5-9-25)19(26)24-12-10-23(11-13-24)17-6-2-3-7-22-17/h2-9H,10-13H2,1H3/p+1