2-methyl-4-phenyl-1H-1,5-benzodiazepin-5-ium perchlorate

Systemtic Name: 2-methyl-4-phenyl-1H-1,5-benzodiazepin-5-ium perchlorate Openeye Name: 2-methyl-4-phenyl-1H-1,5-benzodiazepin-5-ium perchlorate CAS Name: 2-methyl-4-phenyl-1H-1,5-benzodiazepin-5-ium perchlorate IUPAC Name: 2-methyl-4-phenyl-1H-1,5-benzodiazepin-5-ium perchlorate Traditional Name: 2-methyl-4-phenyl-1H-1,5-benzodiazepin-5-ium perchlorate Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C2N1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C2N1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H14N2.ClHO4/c1-12-11-16(13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17-12;2-1(3,4)5/h2-11,17H,1H3;(H,2,3,4,5)