[1-(aminomethyl)-5-(2,4-dimethylphenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone

Systemtic Name: [1-(aminomethyl)-5-(2,4-dimethylphenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone Openeye Name: [1-(aminomethyl)-5-(2,4-dimethylphenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone CAS Name: [1-(aminomethyl)-5-(2,4-dimethylphenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone IUPAC Name: [1-(aminomethyl)-5-(2,4-dimethylphenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone Traditional Name: [1-(aminomethyl)-5-(2,4-dimethylphenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NCC([N+](C3=CC=CC=C32)(C)CN)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NCC([N+](C3=CC=CC=C32)(C)CN)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H28N3O/c1-18-13-14-21(19(2)15-18)25-22-11-7-8-12-23(22)29(3,17-27)24(16-28-25)26(30)20-9-5-4-6-10-20/h4-15,24H,16-17,27H2,1-3H3/q+1