[(E)-4-(3,4-dimethylphenyl)but-3-enyl]azanium

Systemtic Name: [(E)-4-(3,4-dimethylphenyl)but-3-enyl]azanium Openeye Name: [(E)-4-(3,4-dimethylphenyl)but-3-enyl]ammonium CAS Name: [(E)-4-(3,4-dimethylphenyl)but-3-enyl]ammonium IUPAC Name: [(E)-4-(3,4-dimethylphenyl)but-3-enyl]azanium Traditional Name: [(E)-4-(3,4-dimethylphenyl)but-3-enyl]ammonium Formula: C12H18N+ MolecularWeight: 176.27802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/CC[NH3+])C

InChI

InChI=1S/C12H17N/c1-10-6-7-12(9-11(10)2)5-3-4-8-13/h3,5-7,9H,4,8,13H2,1-2H3/p+1/b5-3+