N-(2-ethyl-3-methyl-quinolin-4-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-3-methyl-quinolin-4-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide CAS Name: N-(2-ethyl-3-methyl-4-quinolinyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2-ethyl-3-methylquinolin-4-yl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-3-22-19(2)25(21-11-7-8-12-23(21)26-22)27-24(30)18-29-15-13-28(14-16-29)17-20-9-5-4-6-10-20/h4-12H,3,13-18H2,1-2H3,(H,26,27,30)/p+1