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

Systemtic Name: (3R)-1-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(N-allylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-(N-prop-2-enylanilino)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(N-allylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H23N3O2/c1-2-10-20(15-8-4-3-5-9-15)16(21)13-19-11-6-7-14(12-19)17(18)22/h2-5,8-9,14H,1,6-7,10-13H2,(H2,18,22)/p+1/t14-/m1/s1