2-[(3,4-dimethylphenyl)carbamoyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3,4-dimethylphenyl)carbamoyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethylphenyl)carbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethylanilino)-oxomethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethylphenyl)carbamoyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3,4-dimethylphenyl)carbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C20H29N4O+ MolecularWeight: 341.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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