N-[(2S)-butan-2-yl]-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-[(1S)-1-methylpropyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(2S)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(2S)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-[(1S)-1-methylpropyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC[C@H](C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C21H33N3O2/c1-5-17(3)24(21(26)15-23-12-7-6-8-13-23)14-20(25)22-19-11-9-10-16(2)18(19)4/h9-11,17H,5-8,12-15H2,1-4H3,(H,22,25)/p+1/t17-/m0/s1