(2S)-N-(3,4-dimethoxyphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H21N3O4/c1-10(18-7-6-16-14(19)9-18)15(20)17-11-4-5-12(21-2)13(8-11)22-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/p+1/t10-/m0/s1