[(2R)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(2R)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1R)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2R)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1R)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-13(17(24)21-18(25)20-15-8-9-15)22(2)11-14-10-19-23(12-14)16-6-4-3-5-7-16/h3-7,10,12-13,15H,8-9,11H2,1-2H3,(H2,20,21,24,25)/p+1/t13-/m1/s1