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

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(phenylthio)ethyl]thiourea Formula: C21H28N3S2+ MolecularWeight: 386.59712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3S2/c25-21(22-13-16-26-20-9-5-2-6-10-20)23-19-11-14-24(15-12-19)17-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H2,22,23,25)/p+1