2-[4-(2-cyclopropylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(2-cyclopropylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(2-cyclopropyl-4-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C22H28N4O2/c1-15(2)23-21(27)14-25-9-11-26(12-10-25)22(28)18-13-20(16-7-8-16)24-19-6-4-3-5-17(18)19/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,23,27)/p+1