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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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