1-[(4-fluorophenyl)methyl]-3-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]thiourea Formula: C18H21FN5O2S+ MolecularWeight: 390.455043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NCC2=CC=C(C=C2)F)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NC(=S)NCC2=CC=C(C=C2)F)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN5O2S/c19-14-3-1-13(2-4-14)11-21-18(27)22-15-7-9-23(10-8-15)17-6-5-16(12-20-17)24(25)26/h1-6,12,15H,7-11H2,(H2,21,22,27)/p+1