2-[4-(3-methanoyl-6-methyl-quinolin-2-yl)piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-methanoyl-6-methyl-quinolin-2-yl)piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(3-formyl-6-methyl-2-quinolyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(3-formyl-6-methyl-2-quinolinyl)-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-formyl-6-methylquinolin-2-yl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(3-formyl-6-methyl-2-quinolyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)N3CC[NH+](CC3)CC(=O)NC(C)C)C=O

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)N3CC[NH+](CC3)CC(=O)NC(C)C)C=O

InChI

InChI=1S/C20H26N4O2/c1-14(2)21-19(26)12-23-6-8-24(9-7-23)20-17(13-25)11-16-10-15(3)4-5-18(16)22-20/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,21,26)/p+1