1-(3,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]urea

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]urea CAS Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]urea Traditional Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]urea Formula: C18H22Cl2N3O2+ MolecularWeight: 383.29218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3O2/c19-14-7-6-13(11-15(14)20)22-18(24)21-12-16(17-5-4-10-25-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12H2,(H2,21,22,24)/p+1/t16-/m0/s1