(2R)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: (2R)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2R)-N-(4-benzyloxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-2-(3-oxo-1-piperazin-1-iumyl)-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2R)-2-(3-oxopiperazin-1-ium-1-yl)-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2R)-N-(4-benzoxyphenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H23N3O3/c1-15(23-12-11-21-19(24)13-23)20(25)22-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,24)(H,22,25)/p+1/t15-/m1/s1