(2S)-2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(2,5-diethoxy-4-morpholino-anilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(2,5-diethoxy-4-morpholino-anilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H39N4O4+ MolecularWeight: 435.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)NC2=C(C=C(C(=C2)OCC)N3CCOCC3)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)NC2=C(C=C(C(=C2)OCC)N3CCOCC3)OCC

InChI

InChI=1S/C23H38N4O4/c1-5-25-8-10-27(11-9-25)23(28)18(4)24-19-16-22(31-7-3)20(17-21(19)30-6-2)26-12-14-29-15-13-26/h16-18,24H,5-15H2,1-4H3/p+1/t18-/m0/s1