2,4,7,8-tetramethyl-1H-1,5-benzodiazepin-1-ium hydrochloride

Systemtic Name: 2,4,7,8-tetramethyl-1H-1,5-benzodiazepin-1-ium hydrochloride Openeye Name: 2,4,7,8-tetramethyl-1H-1,5-benzodiazepin-1-ium hydrochloride CAS Name: 2,4,7,8-tetramethyl-1H-1,5-benzodiazepin-1-ium hydrochloride IUPAC Name: 2,4,7,8-tetramethyl-1H-1,5-benzodiazepin-1-ium hydrochloride Traditional Name: 2,4,7,8-tetramethyl-1H-1,5-benzodiazepin-1-ium hydrochloride Formula: C13H18ClN2+ MolecularWeight: 237.74842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C=C([NH2+]2)C)C.Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C=C([NH2+]2)C)C.Cl

InChI

InChI=1S/C13H16N2.ClH/c1-8-5-12-13(6-9(8)2)15-11(4)7-10(3)14-12;/h5-7,14H,1-4H3;1H/p+1