1,2,3,4,7-pentamethyl-5-(2-methylphenyl)-2,3-dihydro-1,4-benzodiazepin-4-ium

Systemtic Name: 1,2,3,4,7-pentamethyl-5-(2-methylphenyl)-2,3-dihydro-1,4-benzodiazepin-4-ium Openeye Name: 1,2,3,4,7-pentamethyl-5-(o-tolyl)-2,3-dihydro-1,4-benzodiazepin-4-ium CAS Name: 1,2,3,4,7-pentamethyl-5-(2-methylphenyl)-2,3-dihydro-1,4-benzodiazepin-4-ium IUPAC Name: 1,2,3,4,7-pentamethyl-5-(2-methylphenyl)-2,3-dihydro-1,4-benzodiazepin-4-ium Traditional Name: 1,2,3,4,7-pentamethyl-5-(o-tolyl)-2,3-dihydro-1,4-benzodiazepin-4-ium Formula: C21H27N2+ MolecularWeight: 307.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](=C(C2=C(N1C)C=CC(=C2)C)C3=CC=CC=C3C)C)C

Isomeric SMILES

CC1C([N+](=C(C2=C(N1C)C=CC(=C2)C)C3=CC=CC=C3C)C)C

InChI

InChI=1S/C21H27N2/c1-14-11-12-20-19(13-14)21(18-10-8-7-9-15(18)2)23(6)17(4)16(3)22(20)5/h7-13,16-17H,1-6H3/q+1