(2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H26ClN3O3/c1-15(22(28)24-20-14-18(23)6-9-21(20)29-3)25-10-12-26(13-11-25)19-7-4-17(5-8-19)16(2)27/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)/p+1/t15-/m1/s1