5,5-dimethyl-1-(phenylmethyl)-2,3,4,6-tetrahydro-1,5-benzodiazocin-5-ium

Systemtic Name: 5,5-dimethyl-1-(phenylmethyl)-2,3,4,6-tetrahydro-1,5-benzodiazocin-5-ium Openeye Name: 1-benzyl-5,5-dimethyl-2,3,4,6-tetrahydro-1,5-benzodiazocin-5-ium CAS Name: 5,5-dimethyl-1-(phenylmethyl)-2,3,4,6-tetrahydro-1,5-benzodiazocin-5-ium IUPAC Name: 1-benzyl-5,5-dimethyl-2,3,4,6-tetrahydro-1,5-benzodiazocin-5-ium Traditional Name: 1-benzyl-5,5-dimethyl-2,3,4,6-tetrahydro-1,5-benzodiazocin-5-ium Formula: C19H25N2+ MolecularWeight: 281.4152

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(C2=CC=CC=C2C1)CC3=CC=CC=C3)C

Isomeric SMILES

C[N+]1(CCCN(C2=CC=CC=C2C1)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H25N2/c1-21(2)14-8-13-20(15-17-9-4-3-5-10-17)19-12-7-6-11-18(19)16-21/h3-7,9-12H,8,13-16H2,1-2H3/q+1