1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium

Systemtic Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium Openeye Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium CAS Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium IUPAC Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium Traditional Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium Formula: C18H21N2+ MolecularWeight: 265.37274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(CCCC1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(N(CCCC1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N2/c1-19-14-8-9-15-20(17-12-6-3-7-13-17)18(19)16-10-4-2-5-11-16/h2-7,10-13H,8-9,14-15H2,1H3/q+1