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

Systemtic Name: (2R)-N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-chloro-4-cyano-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-chloro-4-cyanophenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-chloro-4-cyanophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-chloro-4-cyano-phenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H25ClN4O2/c1-3-29-21-7-5-4-6-20(21)27-12-10-26(11-13-27)16(2)22(28)25-18-9-8-17(15-24)19(23)14-18/h4-9,14,16H,3,10-13H2,1-2H3,(H,25,28)/p+1/t16-/m1/s1