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

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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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=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H26ClN3O3/c1-15(21(26)23-17-14-16(22)8-9-19(17)27-2)24-10-12-25(13-11-24)18-6-4-5-7-20(18)28-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,26)/p+1/t15-/m1/s1