4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-N-(4-tert-butylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-N-(4-tert-butylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(3,5-dichloro-4-pyridin-1-iumyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepane-1-carboxamide Formula: C21H27Cl2N4O+ MolecularWeight: 422.37128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=C(C=[NH+]C=C3Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=C(C=[NH+]C=C3Cl)Cl

InChI

InChI=1S/C21H26Cl2N4O/c1-21(2,3)15-5-7-16(8-6-15)25-20(28)27-10-4-9-26(11-12-27)19-17(22)13-24-14-18(19)23/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,28)/p+1