2-[(4-tert-butylphenyl)carbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-tert-butylphenyl)carbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-tert-butylbenzoyl)-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-tert-butylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-tert-butylbenzoyl)-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]amino]ethyl-dimethyl-ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+](C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+](C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H30N4O3/c1-15-13-18(23-28-15)22-19(26)14-25(12-11-24(5)6)20(27)16-7-9-17(10-8-16)21(2,3)4/h7-10,13H,11-12,14H2,1-6H3,(H,22,23,26)/p+1