[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(butylcarbamoylamino)-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C[NH+](C)CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCNC(=O)NC(=O)C[NH+](C)CC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H29N5O2/c1-5-6-12-21-20(27)22-19(26)14-24(4)13-18-15(2)23-25(16(18)3)17-10-8-7-9-11-17/h7-11H,5-6,12-14H2,1-4H3,(H2,21,22,26,27)/p+1