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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H26N4O2/c1-18(22(28)26(13-7-12-23)19-8-3-2-4-9-19)24-14-16-25(17-15-24)20-10-5-6-11-21(20)27/h2-6,8-11,18,27H,7,13-17H2,1H3/p+1/t18-/m1/s1