[3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-[[(1S)-isochroman-1-yl]methylamino]-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methylamino]-3-oxopropyl]-dimethylammonium IUPAC Name: [3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-oxopropyl]-dimethylazanium Traditional Name: [3-[[(1S)-isochroman-1-yl]methylamino]-3-keto-propyl]-dimethyl-ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)NCC1C2=CC=CC=C2CCO1

Isomeric SMILES

C[NH+](C)CCC(=O)NC[C@@H]1C2=CC=CC=C2CCO1

InChI

InChI=1S/C15H22N2O2/c1-17(2)9-7-15(18)16-11-14-13-6-4-3-5-12(13)8-10-19-14/h3-6,14H,7-11H2,1-2H3,(H,16,18)/p+1/t14-/m1/s1