2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C)C(C)C

InChI

InChI=1S/C22H32N4O3/c1-15(2)26(16(3)4)10-9-23-22(27)18-14-25(5)24-21(18)17-7-8-19-20(13-17)29-12-6-11-28-19/h7-8,13-16H,6,9-12H2,1-5H3,(H,23,27)/p+1