[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H22N2O4/c1-22-15-5-6-16(23-2)14(12-15)13-19-7-9-20(10-8-19)18(21)17-4-3-11-24-17/h3-6,11-12H,7-10,13H2,1-2H3/p+1