5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium

Systemtic Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C7H13N2+ MolecularWeight: 125.19152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]CCN1)C

Isomeric SMILES

CC1=CC(=[NH+]CCN1)C

InChI

InChI=1S/C7H12N2/c1-6-5-7(2)9-4-3-8-6/h5,8H,3-4H2,1-2H3/p+1