N-(3-ethyl-2-propyl-quinolin-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-ethyl-2-propyl-quinolin-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-ethyl-2-propyl-4-quinolinyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c1-3-10-23-21(4-2)26(22-13-8-9-14-24(22)27-23)28-25(31)19-29-15-17-30(18-16-29)20-11-6-5-7-12-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3,(H,27,28,31)/p+1