(2S)-2-[(4-methylphenyl)methyl]azepan-1-ium

Systemtic Name: (2S)-2-[(4-methylphenyl)methyl]azepan-1-ium Openeye Name: (2S)-2-(p-tolylmethyl)azepan-1-ium CAS Name: (2S)-2-[(4-methylphenyl)methyl]azepan-1-ium IUPAC Name: (2S)-2-[(4-methylphenyl)methyl]azepan-1-ium Traditional Name: (2S)-2-(4-methylbenzyl)azepan-1-ium Formula: C14H22N+ MolecularWeight: 204.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CCCCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C14H21N/c1-12-6-8-13(9-7-12)11-14-5-3-2-4-10-15-14/h6-9,14-15H,2-5,10-11H2,1H3/p+1/t14-/m0/s1