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

Systemtic Name: 1-[[(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazin-4-ium Openeye Name: 1-[[(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]methyl]piperazin-4-ium IUPAC Name: 1-[[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[(2S)-5-chlorocoumaran-2-yl]methyl]piperazin-4-ium Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C[C@@H]2CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C13H17ClN2O/c14-11-1-2-13-10(7-11)8-12(17-13)9-16-5-3-15-4-6-16/h1-2,7,12,15H,3-6,8-9H2/p+1/t12-/m0/s1