9-(4-tert-butylphenyl)-5-ethanoyl-6-pyridin-1-ium-4-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(4-tert-butylphenyl)-5-ethanoyl-6-pyridin-1-ium-4-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(4-tert-butylphenyl)-6-pyridin-1-ium-4-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-(4-tert-butylphenyl)-6-(4-pyridin-1-iumyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-(4-tert-butylphenyl)-6-pyridin-1-ium-4-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(4-tert-butylphenyl)-6-pyridin-1-ium-4-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C30H32N3O2+ MolecularWeight: 466.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=C(C=C4)C(C)(C)C)C5=CC=[NH+]C=C5

Isomeric SMILES

CC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=C(C=C4)C(C)(C)C)C5=CC=[NH+]C=C5

InChI

InChI=1S/C30H31N3O2/c1-19(34)33-26-8-6-5-7-24(26)32-25-17-22(20-9-11-23(12-10-20)30(2,3)4)18-27(35)28(25)29(33)21-13-15-31-16-14-21/h5-17,22,28-29,32H,18H2,1-4H3/p+1