(3R)-1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(2,6-diethylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(2,6-diethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(2,6-diethylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-3-13-7-5-8-14(4-2)17(13)20-16(22)12-21-10-6-9-15(11-21)18(19)23/h5,7-8,15H,3-4,6,9-12H2,1-2H3,(H2,19,23)(H,20,22)/p+1/t15-/m1/s1