3-[[(3S)-5-[(2,4-dimethoxyphenyl)amino]-3-methyl-5-oxidanylidene-pentanoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(3S)-5-[(2,4-dimethoxyphenyl)amino]-3-methyl-5-oxidanylidene-pentanoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(3S)-5-(2,4-dimethoxyanilino)-3-methyl-5-oxo-pentanoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(3S)-5-(2,4-dimethoxyanilino)-3-methyl-1,5-dioxopentyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(3S)-5-(2,4-dimethoxyanilino)-3-methyl-5-oxopentanoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(3S)-5-(2,4-dimethoxyanilino)-5-keto-3-methyl-pentanoyl]amino]propyl-diethyl-ammonium Formula: C21H36N3O4+ MolecularWeight: 394.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CC(C)CC(=O)NC1=C(C=C(C=C1)OC)OC

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C[C@H](C)CC(=O)NC1=C(C=C(C=C1)OC)OC

InChI

InChI=1S/C21H35N3O4/c1-6-24(7-2)12-8-11-22-20(25)13-16(3)14-21(26)23-18-10-9-17(27-4)15-19(18)28-5/h9-10,15-16H,6-8,11-14H2,1-5H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1