2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(5-nitro-8-quinolinyl)-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

InChI

InChI=1S/C18H21N5O3/c1-2-7-19-17(24)13-21-9-11-22(12-10-21)16-6-5-15(23(25)26)14-4-3-8-20-18(14)16/h2-6,8H,1,7,9-13H2,(H,19,24)/p+1