[2-[[[(2S)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(2S)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[(2S)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(2S)-2-[[cyclohexyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[(2S)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)C2CCCCC2

InChI

InChI=1S/C22H35N3O2/c1-16(2)20(24-21(26)17-10-6-5-7-11-17)22(27)23-14-18-12-8-9-13-19(18)15-25(3)4/h8-9,12-13,16-17,20H,5-7,10-11,14-15H2,1-4H3,(H,23,27)(H,24,26)/p+1/t20-/m0/s1