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

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-sulfamoylphenyl)thiourea Formula: C19H25N4O2S2+ MolecularWeight: 405.5574

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S2/c20-27(24,25)18-8-6-16(7-9-18)21-19(26)22-17-10-12-23(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H2,20,24,25)(H2,21,22,26)/p+1