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

Systemtic Name: 1-(3-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(3-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea CAS Name: 1-(3-nitrophenyl)-3-[4-(1-piperidin-1-iumylmethyl)phenyl]thiourea IUPAC Name: 1-(3-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(3-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c24-23(25)18-6-4-5-17(13-18)21-19(26)20-16-9-7-15(8-10-16)14-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H2,20,21,26)/p+1