1-(2-chloranyl-5-nitro-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C19H22ClN4O2S+ MolecularWeight: 405.92158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2S/c20-17-7-6-16(24(25)26)12-18(17)22-19(27)21-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H2,21,22,27)/p+1