1-(4-bromanyl-2-chloranyl-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-bromo-2-chloro-phenyl)thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-bromo-2-chlorophenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-bromo-2-chloro-phenyl)thiourea Formula: C19H22BrClN3S+ MolecularWeight: 439.82008

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrClN3S/c20-15-6-7-18(17(21)12-15)23-19(25)22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H2,22,23,25)/p+1