1-benzofuran-2-ylmethyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-(benzofuran-2-ylmethyl)ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-(2-benzofuranylmethyl)ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-(1-benzofuran-2-ylmethyl)azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-(benzofuran-2-ylmethyl)ammonium Formula: C21H26N4O2+2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N4O2/c1-16(26)24-9-11-25(12-10-24)21-18(6-4-8-23-21)14-22-15-19-13-17-5-2-3-7-20(17)27-19/h2-8,13,22H,9-12,14-15H2,1H3/p+2