6-phenyl-8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepin-11-ium perchlorate

Systemtic Name: 6-phenyl-8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepin-11-ium perchlorate Openeye Name: 6-phenyl-8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepin-11-ium perchlorate CAS Name: 6-phenyl-8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepin-11-ium perchlorate IUPAC Name: 6-phenyl-8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepin-11-ium perchlorate Traditional Name: 6-phenyl-8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepin-11-ium perchlorate Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC3=CC=CC=C3[NH2+]2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC2=C(C1)C(=NC3=CC=CC=C3[NH2+]2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H18N2.ClHO4/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)21-19;2-1(3,4)5/h1-3,6-9,12-13,20H,4-5,10-11H2;(H,2,3,4,5)