3-[2-(3,4-dimethylphenyl)ethanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[2-(3,4-dimethylphenyl)ethanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(3,4-dimethylphenyl)acetyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[2-(3,4-dimethylphenyl)-1-oxoethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(3,4-dimethylphenyl)acetyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(3,4-dimethylphenyl)acetyl]amino]propyl]-methyl-ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)NCCC[NH+](C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)NCCC[NH+](C)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O/c1-17-10-11-20(14-18(17)2)15-21(24)22-12-7-13-23(3)16-19-8-5-4-6-9-19/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,22,24)/p+1