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

Systemtic Name: [(3S,4R)-3-(azepan-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3S,4R)-3-(azepan-1-yl)chroman-4-yl]ammonium CAS Name: [(3S,4R)-3-(1-azepanyl)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3S,4R)-3-(azepan-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3S,4R)-3-(azepan-1-yl)chroman-4-yl]ammonium Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2COC3=CC=CC=C3C2[NH3+]

Isomeric SMILES

C1CCCN(CC1)[C@@H]2COC3=CC=CC=C3[C@H]2[NH3+]

InChI

InChI=1S/C15H22N2O/c16-15-12-7-3-4-8-14(12)18-11-13(15)17-9-5-1-2-6-10-17/h3-4,7-8,13,15H,1-2,5-6,9-11,16H2/p+1/t13-,15-/m1/s1