1-cyclohexyl-1-(phenylmethyl)azepan-1-ium

Systemtic Name: 1-cyclohexyl-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-cyclohexyl-azepan-1-ium CAS Name: 1-cyclohexyl-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-cyclohexylazepan-1-ium Traditional Name: 1-benzyl-1-cyclohexyl-azepan-1-ium Formula: C19H30N+ MolecularWeight: 272.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](CC1)(CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C1CCC[N+](CC1)(CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C19H30N/c1-2-10-16-20(15-9-1,19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3,5-6,11-12,19H,1-2,4,7-10,13-17H2/q+1