1-[[(2S)-5,7-dimethyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[[(2S)-5,7-dimethyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazin-4-ium Openeye Name: 1-[[(2S)-5,7-dimethyl-2,3-dihydrobenzofuran-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[(2S)-5,7-dimethyl-2,3-dihydrobenzofuran-2-yl]methyl]piperazin-4-ium IUPAC Name: 1-[[(2S)-5,7-dimethyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[(2S)-5,7-dimethylcoumaran-2-yl]methyl]piperazin-4-ium Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)CC(O2)CN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C[C@H](O2)CN3CC[NH2+]CC3)C

InChI

InChI=1S/C15H22N2O/c1-11-7-12(2)15-13(8-11)9-14(18-15)10-17-5-3-16-4-6-17/h7-8,14,16H,3-6,9-10H2,1-2H3/p+1/t14-/m0/s1