1-(3,4-dichlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea

Systemtic Name: 1-(3,4-dichlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea Openeye Name: 1-(3,4-dichlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea CAS Name: 1-(3,4-dichlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea Traditional Name: 1-(3,4-dichlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea Formula: C13H17Cl2N4O+ MolecularWeight: 316.20628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CCC(=[NH+]CC1)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H16Cl2N4O/c14-10-6-5-9(8-11(10)15)17-13(20)19-18-12-4-2-1-3-7-16-12/h5-6,8H,1-4,7H2,(H,16,18)(H2,17,19,20)/p+1