N-(4-ethanoylphenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[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(=O)C1=CC=C(C=C1)NC(=O)CCN2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCN2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H30N4O3/c1-17(26)18-4-6-19(7-5-18)22-20(27)8-11-23-12-14-24(15-13-23)16-21(28)25-9-2-3-10-25/h4-7H,2-3,8-16H2,1H3,(H,22,27)/p+1