1-(phenylmethyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-benzyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(phenylmethyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-benzyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-benzyl-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c25-21(22-15-18-7-3-1-4-8-18)23-16-19-9-11-20(12-10-19)17-24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-17H2,(H2,22,23,25)/p+1