2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium

Systemtic Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium Openeye Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium CAS Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium IUPAC Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium Traditional Name: 2,4,8-trimethyl-1H-1,5-benzodiazepin-5-ium Formula: C12H15N2+ MolecularWeight: 187.2609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C(N2)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C(N2)C)C

InChI

InChI=1S/C12H14N2/c1-8-4-5-11-12(6-8)14-10(3)7-9(2)13-11/h4-7,14H,1-3H3/p+1