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

Systemtic Name: 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c28-21(25-20-10-13-23-27(20)19-8-4-5-9-19)16-26-14-11-17(12-15-26)22(29)24-18-6-2-1-3-7-18/h1-3,6-7,10,13,17,19H,4-5,8-9,11-12,14-16H2,(H,24,29)(H,25,28)/p+1