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

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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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=C3O

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H24ClN3O3/c1-14(20(26)22-16-13-15(21)7-8-19(16)27-2)23-9-11-24(12-10-23)17-5-3-4-6-18(17)25/h3-8,13-14,25H,9-12H2,1-2H3,(H,22,26)/p+1/t14-/m1/s1