3-[(2,4-dimethylphenyl)methyl]azetidin-1-ium

Systemtic Name: 3-[(2,4-dimethylphenyl)methyl]azetidin-1-ium Openeye Name: 3-[(2,4-dimethylphenyl)methyl]azetidin-1-ium CAS Name: 3-[(2,4-dimethylphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(2,4-dimethylphenyl)methyl]azetidin-1-ium Traditional Name: 3-(2,4-dimethylbenzyl)azetidin-1-ium Formula: C12H18N+ MolecularWeight: 176.27802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2C[NH2+]C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2C[NH2+]C2)C

InChI

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