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

Systemtic Name: N-[2-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(6-ethoxy-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[(6-ethoxy-2-quinolinyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[(6-ethoxy-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

InChI

InChI=1S/C22H27N5O2/c1-3-29-20-6-7-21-17(14-20)4-5-18(25-21)15-26-12-9-19(10-13-26)27-22(8-11-23-27)24-16(2)28/h4-8,11,14,19H,3,9-10,12-13,15H2,1-2H3,(H,24,28)/p+1