(3S,4S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3,4-dihydro-2H-chromen-4-amine

Systemtic Name: (3S,4S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3,4-dihydro-2H-chromen-4-amine Openeye Name: (3S,4S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]chroman-4-amine CAS Name: (3S,4S)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-3,4-dihydro-2H-1-benzopyran-4-amine IUPAC Name: (3S,4S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3,4-dihydro-2H-chromen-4-amine Traditional Name: [(3S,4S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]chroman-4-yl]amine Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2COC3=CC=CC=C3C2N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)[C@@H]2COC3=CC=CC=C3[C@@H]2N)C

InChI

InChI=1S/C16H24N2O/c1-11-7-12(2)9-18(8-11)14-10-19-15-6-4-3-5-13(15)16(14)17/h3-6,11-12,14,16H,7-10,17H2,1-2H3/p+1/t11-,12-,14+,16-/m0/s1