[(1S)-1-(4-dimethylaminophenyl)-2-[(3-methylphenyl)carbamoylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(3-methylphenyl)carbamoylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-dimethylaminophenyl)-2-(m-tolylcarbamoylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-[[(3-methylanilino)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(3-methylphenyl)carbamoylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-dimethylaminophenyl)-2-(m-tolylcarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+](C)C

InChI

InChI=1S/C20H28N4O/c1-15-7-6-8-17(13-15)22-20(25)21-14-19(24(4)5)16-9-11-18(12-10-16)23(2)3/h6-13,19H,14H2,1-5H3,(H2,21,22,25)/p+1/t19-/m1/s1