2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium

Systemtic Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium Openeye Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium CAS Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium IUPAC Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium Traditional Name: 2,4,7-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium Formula: C12H17N2+ MolecularWeight: 189.27678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=[NH+]C2=C(N1)C=CC(=C2)C)C

Isomeric SMILES

CC1CC(=[NH+]C2=C(N1)C=CC(=C2)C)C

InChI

InChI=1S/C12H16N2/c1-8-4-5-11-12(6-8)14-10(3)7-9(2)13-11/h4-6,9,13H,7H2,1-3H3/p+1