1-(phenylmethyl)-1-propyl-azepan-1-ium

Systemtic Name: 1-(phenylmethyl)-1-propyl-azepan-1-ium Openeye Name: 1-benzyl-1-propyl-azepan-1-ium CAS Name: 1-(phenylmethyl)-1-propylazepan-1-ium IUPAC Name: 1-benzyl-1-propylazepan-1-ium Traditional Name: 1-benzyl-1-propyl-azepan-1-ium Formula: C16H26N+ MolecularWeight: 232.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCCC1)CC2=CC=CC=C2

Isomeric SMILES

CCC[N+]1(CCCCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N/c1-2-12-17(13-8-3-4-9-14-17)15-16-10-6-5-7-11-16/h5-7,10-11H,2-4,8-9,12-15H2,1H3/q+1