1-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-ethylquinazolin-4-yl)-(phenylmethyl)amino]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-ethylquinazolin-4-yl)-(phenylmethyl)amino]propan-1-one Openeye Name: 3-[benzyl-(2-ethylquinazolin-4-yl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[(2-ethyl-4-quinazolinyl)-(phenylmethyl)amino]-1-propanone IUPAC Name: 3-[benzyl-(2-ethylquinazolin-4-yl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[benzyl-(2-ethylquinazolin-4-yl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C26H34N5O+ MolecularWeight: 432.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=N1)N(CCC(=O)N3CC[NH+](CC3)CC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=N1)N(CCC(=O)N3CC[NH+](CC3)CC)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O/c1-3-24-27-23-13-9-8-12-22(23)26(28-24)31(20-21-10-6-5-7-11-21)15-14-25(32)30-18-16-29(4-2)17-19-30/h5-13H,3-4,14-20H2,1-2H3/p+1