N-[2-[1-[(6-acetamidoquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[(6-acetamidoquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(6-acetamido-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(6-acetamido-2-quinolinyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(6-acetamidoquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[(6-acetamido-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C25H33N6O2+ MolecularWeight: 449.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=C(C=C3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=C(C=C3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C25H32N6O2/c1-17(2)14-25(33)29-24-8-11-26-31(24)22-9-12-30(13-10-22)16-21-5-4-19-15-20(27-18(3)32)6-7-23(19)28-21/h4-8,11,15,17,22H,9-10,12-14,16H2,1-3H3,(H,27,32)(H,29,33)/p+1