diethyl-[2-[[(3S)-3-methyl-5-oxidanylidene-5-[(4-propan-2-ylphenyl)amino]pentanoyl]amino]ethyl]azanium

Systemtic Name: diethyl-[2-[[(3S)-3-methyl-5-oxidanylidene-5-[(4-propan-2-ylphenyl)amino]pentanoyl]amino]ethyl]azanium Openeye Name: diethyl-[2-[[(3S)-5-(4-isopropylanilino)-3-methyl-5-oxo-pentanoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[(3S)-3-methyl-1,5-dioxo-5-(4-propan-2-ylanilino)pentyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[(3S)-3-methyl-5-oxo-5-(4-propan-2-ylanilino)pentanoyl]amino]ethyl]azanium Traditional Name: 2-[[(3S)-5-cumidino-5-keto-3-methyl-pentanoyl]amino]ethyl-diethyl-ammonium Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2/c1-6-24(7-2)13-12-22-20(25)14-17(5)15-21(26)23-19-10-8-18(9-11-19)16(3)4/h8-11,16-17H,6-7,12-15H2,1-5H3,(H,22,25)(H,23,26)/p+1/t17-/m0/s1