1-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-14-19(15(2)24(3)23-14)22-18(26)13-25-11-9-16(10-12-25)20(27)21-17-7-5-4-6-8-17/h4-8,16H,9-13H2,1-3H3,(H,21,27)(H,22,26)/p+1