1,1-bis(phenylmethyl)azepan-1-ium chloride

Systemtic Name: 1,1-bis(phenylmethyl)azepan-1-ium chloride Openeye Name: 1,1-dibenzylazepan-1-ium chloride CAS Name: 1,1-bis(phenylmethyl)azepan-1-ium chloride IUPAC Name: 1,1-dibenzylazepan-1-ium chloride Traditional Name: 1,1-dibenzylazepan-1-ium chloride Formula: C20H26ClN MolecularWeight: 315.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](CC1)(CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCC[N+](CC1)(CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H26N.ClH/c1-2-10-16-21(15-9-1,17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20;/h3-8,11-14H,1-2,9-10,15-18H2;1H/q+1;/p-1