[4-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-oxolan-2-yl]methanone

Systemtic Name: [4-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-oxolan-2-yl]methanone Openeye Name: [4-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-tetrahydrofuran-2-yl]methanone CAS Name: [4-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-piperazin-4-iumyl]-[(2R)-2-oxolanyl]methanone IUPAC Name: [4-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-oxolan-2-yl]methanone Traditional Name: [4-(5-allyl-2-hydroxy-3-methoxy-benzyl)piperazin-4-ium-1-yl]-[(2R)-tetrahydrofuran-2-yl]methanone Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C(=O)C3CCCO3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCO3)CC=C

InChI

InChI=1S/C20H28N2O4/c1-3-5-15-12-16(19(23)18(13-15)25-2)14-21-7-9-22(10-8-21)20(24)17-6-4-11-26-17/h3,12-13,17,23H,1,4-11,14H2,2H3/p+1/t17-/m1/s1