1-[2-(4-chlorophenyl)sulfanylethyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(4-chlorophenyl)sulfanylethyl]thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(4-chlorophenyl)sulfanylethyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-[(4-chlorophenyl)thio]ethyl]thiourea Formula: C21H27ClN3S2+ MolecularWeight: 421.04218

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NCCSC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NCCSC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3S2/c22-18-6-8-20(9-7-18)27-15-12-23-21(26)24-19-10-13-25(14-11-19)16-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H2,23,24,26)/p+1