[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H25NO4/c1-26-21-10-9-17(13-22(21)27-2)23(25)18-7-5-11-24(14-18)15-19-12-16-6-3-4-8-20(16)28-19/h3-4,6,8-10,12-13,18H,5,7,11,14-15H2,1-2H3/p+1/t18-/m0/s1