[(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)chroman-4-yl]ammonium CAS Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)chroman-4-yl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2COC3=CC=CC=C3C2[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H]2COC3=CC=CC=C3[C@@H]2[NH3+]

InChI

InChI=1S/C15H23N3O/c1-17-7-4-8-18(10-9-17)13-11-19-14-6-3-2-5-12(14)15(13)16/h2-3,5-6,13,15H,4,7-11,16H2,1H3/p+2/t13-,15+/m1/s1