1-[(2-ethenylphenyl)methyl]-1-(phenylmethyl)azepan-1-ium

Systemtic Name: 1-[(2-ethenylphenyl)methyl]-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-[(2-vinylphenyl)methyl]azepan-1-ium CAS Name: 1-[(2-ethenylphenyl)methyl]-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-[(2-ethenylphenyl)methyl]azepan-1-ium Traditional Name: 1-benzyl-1-(2-vinylbenzyl)azepan-1-ium Formula: C22H28N+ MolecularWeight: 306.46442

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=CC=C1C[N+]2(CCCCCC2)CC3=CC=CC=C3

Isomeric SMILES

C=CC1=CC=CC=C1C[N+]2(CCCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N/c1-2-21-14-8-9-15-22(21)19-23(16-10-3-4-11-17-23)18-20-12-6-5-7-13-20/h2,5-9,12-15H,1,3-4,10-11,16-19H2/q+1