1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-chroman-4-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4S)-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(4S)-chroman-4-yl]-piperonyl-ammonium Formula: C17H18NO3+ MolecularWeight: 284.32972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17NO3/c1-2-4-15-13(3-1)14(7-8-19-15)18-10-12-5-6-16-17(9-12)21-11-20-16/h1-6,9,14,18H,7-8,10-11H2/p+1/t14-/m0/s1