[(3S)-3-(3,4-dimethylphenyl)-3-phenoxy-propyl]azanium

Systemtic Name: [(3S)-3-(3,4-dimethylphenyl)-3-phenoxy-propyl]azanium Openeye Name: [(3S)-3-(3,4-dimethylphenyl)-3-phenoxy-propyl]ammonium CAS Name: [(3S)-3-(3,4-dimethylphenyl)-3-phenoxypropyl]ammonium IUPAC Name: [(3S)-3-(3,4-dimethylphenyl)-3-phenoxypropyl]azanium Traditional Name: [(3S)-3-(3,4-dimethylphenyl)-3-phenoxy-propyl]ammonium Formula: C17H22NO+ MolecularWeight: 256.36268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO/c1-13-8-9-15(12-14(13)2)17(10-11-18)19-16-6-4-3-5-7-16/h3-9,12,17H,10-11,18H2,1-2H3/p+1/t17-/m0/s1