1-(4-bromophenyl)-3-[(1-methylpiperidin-1-ium-4-ylidene)amino]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[(1-methylpiperidin-1-ium-4-ylidene)amino]thiourea Openeye Name: 1-(4-bromophenyl)-3-[(1-methylpiperidin-1-ium-4-ylidene)amino]thiourea CAS Name: 1-(4-bromophenyl)-3-[(1-methyl-4-piperidin-1-iumylidene)amino]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[(1-methylpiperidin-1-ium-4-ylidene)amino]thiourea Traditional Name: 1-(4-bromophenyl)-3-[(1-methylpiperidin-1-ium-4-ylidene)amino]thiourea Formula: C13H18BrN4S+ MolecularWeight: 342.27782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=S)NC2=CC=C(C=C2)Br)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=S)NC2=CC=C(C=C2)Br)CC1

InChI

InChI=1S/C13H17BrN4S/c1-18-8-6-12(7-9-18)16-17-13(19)15-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H2,15,17,19)/p+1