[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1S)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C21H33N5O2+2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)[NH+](C)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)[NH+](C)C3CC[NH+](CC3)C

InChI

InChI=1S/C21H31N5O2/c1-15-19(21(28)26(25(15)5)18-9-7-6-8-10-18)22-20(27)16(2)24(4)17-11-13-23(3)14-12-17/h6-10,16-17H,11-14H2,1-5H3,(H,22,27)/p+2/t16-/m0/s1