(4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium Traditional Name: (4-tert-butylbenzyl)-[(1S)-2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-1-methyl-ethyl]-methyl-ammonium Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+](C)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+](C)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N4O2/c1-14(26(5)13-15-6-8-16(9-7-15)22(2,3)4)20(27)23-17-10-11-18-19(12-17)25-21(28)24-18/h6-12,14H,13H2,1-5H3,(H,23,27)(H2,24,25,28)/p+1/t14-/m0/s1