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

Systemtic Name: N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide CAS Name: N-[2-(dimethylamino)-4-quinolinyl]-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide Formula: C30H34N5O+ MolecularWeight: 480.62386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H33N5O/c1-33(2)28-21-27(25-15-9-10-16-26(25)31-28)32-29(36)22-34-17-19-35(20-18-34)30(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,21,30H,17-20,22H2,1-2H3,(H,31,32,36)/p+1