1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-methyl-1-[(5-nitro-2-furyl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-methyl-1-[(5-nitro-2-furanyl)methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-methyl-1-[(5-nitro-2-furyl)methyl]piperidin-1-ium-4-yl]propan-1-one Formula: C24H29N2O6S+ MolecularWeight: 473.56186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)CCC(=O)C2=CC3=CC(=C(C=C3S2)OC)OC)CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCC(CC1)CCC(=O)C2=CC3=CC(=C(C=C3S2)OC)OC)CC4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N2O6S/c1-26(15-18-5-7-24(32-18)25(28)29)10-8-16(9-11-26)4-6-19(27)23-13-17-12-20(30-2)21(31-3)14-22(17)33-23/h5,7,12-14,16H,4,6,8-11,15H2,1-3H3/q+1