[(3S)-3-(1,3-benzodioxol-5-yloxy)-3-(3,4-dimethylphenyl)propyl]azanium

Systemtic Name: [(3S)-3-(1,3-benzodioxol-5-yloxy)-3-(3,4-dimethylphenyl)propyl]azanium Openeye Name: [(3S)-3-(1,3-benzodioxol-5-yloxy)-3-(3,4-dimethylphenyl)propyl]ammonium CAS Name: [(3S)-3-(1,3-benzodioxol-5-yloxy)-3-(3,4-dimethylphenyl)propyl]ammonium IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yloxy)-3-(3,4-dimethylphenyl)propyl]azanium Traditional Name: [(3S)-3-(1,3-benzodioxol-5-yloxy)-3-(3,4-dimethylphenyl)propyl]ammonium Formula: C18H22NO3+ MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC[NH3+])OC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](CC[NH3+])OC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H21NO3/c1-12-3-4-14(9-13(12)2)16(7-8-19)22-15-5-6-17-18(10-15)21-11-20-17/h3-6,9-10,16H,7-8,11,19H2,1-2H3/p+1/t16-/m0/s1