(6-chloranyl-1,3-benzodioxol-5-yl)methyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[[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-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C20H25ClN4O3+2 MolecularWeight: 404.8905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H23ClN4O3/c1-14(26)24-5-7-25(8-6-24)20-15(3-2-4-23-20)11-22-12-16-9-18-19(10-17(16)21)28-13-27-18/h2-4,9-10,22H,5-8,11-13H2,1H3/p+2