(2R)-2-(3-methylphenyl)azepan-1-ium

Systemtic Name: (2R)-2-(3-methylphenyl)azepan-1-ium Openeye Name: (2R)-2-(m-tolyl)azepan-1-ium CAS Name: (2R)-2-(3-methylphenyl)azepan-1-ium IUPAC Name: (2R)-2-(3-methylphenyl)azepan-1-ium Traditional Name: (2R)-2-(m-tolyl)azepan-1-ium Formula: C13H20N+ MolecularWeight: 190.3046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-14-13/h5-7,10,13-14H,2-4,8-9H2,1H3/p+1/t13-/m1/s1