(2S)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-p-cumenyl-propionamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-17(2)19-6-8-20(9-7-19)23-22(28)18(3)25-14-12-24(13-15-25)16-21(27)26-10-4-5-11-26/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,23,28)/p+1/t18-/m0/s1