(2S)-2-(2,4-dimethylphenyl)azepan-1-ium

Systemtic Name: (2S)-2-(2,4-dimethylphenyl)azepan-1-ium Openeye Name: (2S)-2-(2,4-dimethylphenyl)azepan-1-ium CAS Name: (2S)-2-(2,4-dimethylphenyl)azepan-1-ium IUPAC Name: (2S)-2-(2,4-dimethylphenyl)azepan-1-ium Traditional Name: (2S)-2-(2,4-dimethylphenyl)azepan-1-ium Formula: C14H22N+ MolecularWeight: 204.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CCCCC[NH2+]2)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@H]2CCCCC[NH2+]2)C

InChI

InChI=1S/C14H21N/c1-11-7-8-13(12(2)10-11)14-6-4-3-5-9-15-14/h7-8,10,14-15H,3-6,9H2,1-2H3/p+1/t14-/m0/s1