1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)thiourea Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H22N4O3S/c23-22(24)15-8-6-14(7-9-15)20-18(26)19-13-16(17-5-4-12-25-17)21-10-2-1-3-11-21/h4-9,12,16H,1-3,10-11,13H2,(H2,19,20,26)/p+1/t16-/m0/s1