3-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-one IUPAC Name: 3-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]-5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-one Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=O)OC(=N3)C4=C(OC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=O)OC(=N3)C4=C(OC=C4)C

InChI

InChI=1S/C21H25N3O4/c1-3-26-18-6-4-16(5-7-18)14-23-11-8-17(9-12-23)24-21(25)28-20(22-24)19-10-13-27-15(19)2/h4-7,10,13,17H,3,8-9,11-12,14H2,1-2H3/p+1