2-[[3-(azaniumylmethyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-(azaniumylmethyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[3-(azaniumylmethyl)benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-(ammoniomethyl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-(azaniumylmethyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[3-(ammoniomethyl)benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC(=CC=C1)C[NH3+])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC(=CC=C1)C[NH3+])C(C)C

InChI

InChI=1S/C16H27N3O/c1-12(2)19(13(3)4)9-8-18-16(20)15-7-5-6-14(10-15)11-17/h5-7,10,12-13H,8-9,11,17H2,1-4H3,(H,18,20)/p+2