2-[4-[(7-chloranyl-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(7-chloranyl-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(7-chloro-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(7-chloro-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(7-chloro-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(7-chloro-2-keto-1-propargyl-3-quinolyl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC#C

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC#C

InChI

InChI=1S/C22H27ClN4O2/c1-4-7-27-20-13-19(23)6-5-17(20)12-18(22(27)29)14-25-8-10-26(11-9-25)15-21(28)24-16(2)3/h1,5-6,12-13,16H,7-11,14-15H2,2-3H3,(H,24,28)/p+1