3-chloranyl-N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 3-chloro-N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 3-chloro-N-[(2R)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 3-chloro-N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 3-chloro-N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC(=CC=C2)Cl)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)C2=CC(=CC=C2)Cl)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C23H24ClN3O2/c24-19-7-4-6-18(16-19)23(28)25-17-21(22-10-5-15-29-22)27-13-11-26(12-14-27)20-8-2-1-3-9-20/h1-10,15-16,21H,11-14,17H2,(H,25,28)/p+1/t21-/m1/s1