2-(cyclohexen-1-yl)ethyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: 2-(cyclohexen-1-yl)ethyl-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: 2-(1-cyclohexenyl)ethyl-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: 2-(cyclohexen-1-yl)ethyl-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: 2-(cyclohexen-1-yl)ethyl-[(3S)-6-hydroxycoumaran-3-yl]ammonium Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

C1CCC(=CC1)CC[NH2+][C@@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H21NO2/c18-13-6-7-14-15(11-19-16(14)10-13)17-9-8-12-4-2-1-3-5-12/h4,6-7,10,15,17-18H,1-3,5,8-9,11H2/p+1/t15-/m1/s1