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

Systemtic Name: 1-(4-phenoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(4-phenoxyphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-phenoxyphenyl)thiourea Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c30-25(26-21-11-13-24(14-12-21)29-23-9-5-2-6-10-23)27-22-15-17-28(18-16-22)19-20-7-3-1-4-8-20/h1-14,22H,15-19H2,(H2,26,27,30)/p+1