3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)C)C#N

InChI

InChI=1S/C22H28N4O3/c1-15-17(16(2)25-22(28)18(15)13-23)8-9-21(27)24-14-19(20-7-6-12-29-20)26-10-4-3-5-11-26/h6-7,12,19H,3-5,8-11,14H2,1-2H3,(H,24,27)(H,25,28)/p+1/t19-/m0/s1