[4-[[2-[(3,4-dimethylphenyl)carbonylamino]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[2-[(3,4-dimethylphenyl)carbonylamino]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C)C

InChI

InChI=1S/C21H27N3O2/c1-15-5-10-19(11-16(15)2)21(26)23-13-20(25)22-12-17-6-8-18(9-7-17)14-24(3)4/h5-11H,12-14H2,1-4H3,(H,22,25)(H,23,26)/p+1