[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[[4-(furan-2-yl)phenyl]methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[[4-(furan-2-yl)phenyl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[[4-(2-furyl)phenyl]methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[[4-(2-furanyl)phenyl]methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[[4-(furan-2-yl)phenyl]methyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-[4-(2-furyl)benzyl]ammonium Formula: C23H28N4O2+2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C23H26N4O2/c1-18(28)26-11-13-27(14-12-26)23-21(4-2-10-25-23)17-24-16-19-6-8-20(9-7-19)22-5-3-15-29-22/h2-10,15,24H,11-14,16-17H2,1H3/p+2