(2R)-3-methyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-(phenylcarbamoylamino)butanamide

Systemtic Name: (2R)-3-methyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-(phenylcarbamoylamino)butanamide Openeye Name: (2R)-3-methyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-(phenylcarbamoylamino)butanamide CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methyl-N-[2-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolyl]butanamide IUPAC Name: (2R)-3-methyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-(phenylcarbamoylamino)butanamide Traditional Name: (2R)-3-methyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-(phenylcarbamoylamino)butyramide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=NN1C2CC[NH+](CC2)C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=NN1C2CC[NH+](CC2)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H30N6O2/c1-15(2)19(25-21(29)23-16-7-5-4-6-8-16)20(28)24-18-9-12-22-27(18)17-10-13-26(3)14-11-17/h4-9,12,15,17,19H,10-11,13-14H2,1-3H3,(H,24,28)(H2,23,25,29)/p+1/t19-/m1/s1