methyl-(1-methylpiperidin-1-ium-4-yl)-[[5-(2-nitrophenyl)furan-2-yl]methyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[5-(2-nitrophenyl)furan-2-yl]methyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[5-(2-nitrophenyl)-2-furyl]methyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[[5-(2-nitrophenyl)-2-furanyl]methyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[5-(2-nitrophenyl)furan-2-yl]methyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[5-(2-nitrophenyl)-2-furyl]methyl]ammonium Formula: C18H25N3O3+2 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-19-11-9-14(10-12-19)20(2)13-15-7-8-18(24-15)16-5-3-4-6-17(16)21(22)23/h3-8,14H,9-13H2,1-2H3/p+2