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

Systemtic Name: diethyl-[3-[[(3S)-3-methyl-5-oxidanylidene-5-[(4-propan-2-ylphenyl)amino]pentanoyl]amino]propyl]azanium Openeye Name: diethyl-[3-[[(3S)-5-(4-isopropylanilino)-3-methyl-5-oxo-pentanoyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[(3S)-3-methyl-1,5-dioxo-5-(4-propan-2-ylanilino)pentyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[(3S)-3-methyl-5-oxo-5-(4-propan-2-ylanilino)pentanoyl]amino]propyl]azanium Traditional Name: 3-[[(3S)-5-cumidino-5-keto-3-methyl-pentanoyl]amino]propyl-diethyl-ammonium Formula: C22H38N3O2+ MolecularWeight: 376.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O2/c1-6-25(7-2)14-8-13-23-21(26)15-18(5)16-22(27)24-20-11-9-19(10-12-20)17(3)4/h9-12,17-18H,6-8,13-16H2,1-5H3,(H,23,26)(H,24,27)/p+1/t18-/m0/s1