dibutyl-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]azanium

Systemtic Name: dibutyl-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]azanium Openeye Name: dibutyl-[[(1S)-isochroman-1-yl]methyl]ammonium CAS Name: dibutyl-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]ammonium IUPAC Name: dibutyl-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]azanium Traditional Name: dibutyl-[[(1S)-isochroman-1-yl]methyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1C2=CC=CC=C2CCO1

Isomeric SMILES

CCCC[NH+](CCCC)C[C@@H]1C2=CC=CC=C2CCO1

InChI

InChI=1S/C18H29NO/c1-3-5-12-19(13-6-4-2)15-18-17-10-8-7-9-16(17)11-14-20-18/h7-10,18H,3-6,11-15H2,1-2H3/p+1/t18-/m1/s1