[(3S,4R)-3-(azocan-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: [(3S,4R)-3-(azocan-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3S,4R)-3-(azocan-1-yl)chroman-4-yl]ammonium CAS Name: [(3S,4R)-3-(1-azocanyl)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3S,4R)-3-(azocan-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3S,4R)-3-(azocan-1-yl)chroman-4-yl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2COC3=CC=CC=C3C2[NH3+]

Isomeric SMILES

C1CCCN(CCC1)[C@@H]2COC3=CC=CC=C3[C@H]2[NH3+]

InChI

InChI=1S/C16H24N2O/c17-16-13-8-4-5-9-15(13)19-12-14(16)18-10-6-2-1-3-7-11-18/h4-5,8-9,14,16H,1-3,6-7,10-12,17H2/p+1/t14-,16-/m1/s1