dimethyl-[1-[[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]methyl]cycloheptyl]ammonium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C21H30N4O/c1-17-12-15-23-25(17)19-10-8-18(9-11-19)20(26)22-16-21(24(2)3)13-6-4-5-7-14-21/h8-12,15H,4-7,13-14,16H2,1-3H3,(H,22,26)/p+1