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

Systemtic Name: 3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide Openeye Name: 3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide CAS Name: 3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-[(1S)-1-phenylethyl]propanamide IUPAC Name: 3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide Traditional Name: 3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-phenylethyl]propionamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2/c1-18(19-7-3-2-4-8-19)22-20(26)9-12-23-13-15-24(16-14-23)17-21(27)25-10-5-6-11-25/h2-4,7-8,18H,5-6,9-17H2,1H3,(H,22,26)/p+1/t18-/m0/s1