(2R)-N-(4-ethanoylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H30N4O3/c1-16(21(28)22-19-7-5-18(6-8-19)17(2)26)24-13-11-23(12-14-24)15-20(27)25-9-3-4-10-25/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,28)/p+1/t16-/m1/s1