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

Systemtic Name: 1-(4-nitrophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-nitrophenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O2S/c25-24(26)19-10-8-18(9-11-19)22-20(27)21-14-16-4-6-17(7-5-16)15-23-12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H2,21,22,27)/p+1