2-[4-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-oxo-2-(3-phenylpropylamino)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-oxo-2-(3-phenylpropylamino)ethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-oxo-2-(3-phenylpropylamino)ethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-keto-2-(3-phenylpropylamino)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C20H30N4O2/c1-2-10-21-19(25)16-23-12-14-24(15-13-23)17-20(26)22-11-6-9-18-7-4-3-5-8-18/h2-5,7-8H,1,6,9-17H2,(H,21,25)(H,22,26)/p+1