N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H24ClN3O3/c1-27-19-7-2-15(21)14-18(19)22-20(26)8-9-23-10-12-24(13-11-23)16-3-5-17(25)6-4-16/h2-7,14,25H,8-13H2,1H3,(H,22,26)/p+1