4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]piperazin-4-ium-2-one Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H22N2O3/c1-3-20-14-7-12-6-11(2)21-15(12)8-13(14)9-18-5-4-17-16(19)10-18/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1