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

Systemtic Name: (2R)-N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-chloro-4-cyano-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-chloro-4-cyanophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-chloro-4-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-chloro-4-cyano-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H22ClN4O2+ MolecularWeight: 385.86728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c1-14(20(27)23-16-3-2-15(13-22)19(21)12-16)24-8-10-25(11-9-24)17-4-6-18(26)7-5-17/h2-7,12,14,26H,8-11H2,1H3,(H,23,27)/p+1/t14-/m1/s1