N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide CAS Name: N-[2-(dimethylamino)-4-quinolinyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-27(2)23-16-22(20-10-6-7-11-21(20)25-23)26-24(30)18-29-14-12-28(13-15-29)17-19-8-4-3-5-9-19/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,26,30)/p+1