1-(4-bromanyl-2-methyl-phenyl)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]thiourea

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]thiourea Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]thiourea CAS Name: 1-(4-bromo-2-methylphenyl)-3-[(3R)-1-propyl-3-piperidin-1-iumyl]thiourea IUPAC Name: 1-(4-bromo-2-methylphenyl)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]thiourea Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]thiourea Formula: C16H25BrN3S+ MolecularWeight: 371.3588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCC(C1)NC(=S)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCC[NH+]1CCC[C@H](C1)NC(=S)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C16H24BrN3S/c1-3-8-20-9-4-5-14(11-20)18-16(21)19-15-7-6-13(17)10-12(15)2/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H2,18,19,21)/p+1/t14-/m1/s1