(3R)-1-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(N-cyclohexylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(N-cyclohexylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C20H29N3O2/c21-20(25)16-8-7-13-22(14-16)15-19(24)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-4,9-10,16,18H,2,5-8,11-15H2,(H2,21,25)/p+1/t16-/m1/s1