2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[2-(3,5-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]ethylammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC[NH3+])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC[NH3+])C

InChI

InChI=1S/C16H26N4O/c1-13-9-14(2)11-15(10-13)18-16(21)12-20-7-5-19(4-3-17)6-8-20/h9-11H,3-8,12,17H2,1-2H3,(H,18,21)/p+2