[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)propyl]azanium

Systemtic Name: [(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)propyl]azanium Openeye Name: [(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(p-tolyl)propyl]ammonium CAS Name: [(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)propyl]ammonium IUPAC Name: [(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)propyl]azanium Traditional Name: [(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(p-tolyl)propyl]ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC[NH3+])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC[NH3+])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21NO2/c1-13-2-4-14(5-3-13)16(8-9-19)15-6-7-17-18(12-15)21-11-10-20-17/h2-7,12,16H,8-11,19H2,1H3/p+1/t16-/m0/s1