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

Systemtic Name: 1-(4-nitrophenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-nitrophenyl)thiourea Formula: C19H23N4O2S+ MolecularWeight: 371.47652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c24-23(25)18-8-6-16(7-9-18)20-19(26)21-17-10-12-22(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H2,20,21,26)/p+1