N,2,2-trimethyl-4-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3H-pyran-6-carboxamide

Systemtic Name: N,2,2-trimethyl-4-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3H-pyran-6-carboxamide Openeye Name: N,2,2-trimethyl-4-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3H-pyran-6-carboxamide CAS Name: N,2,2-trimethyl-4-oxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3H-pyran-6-carboxamide IUPAC Name: N,2,2-trimethyl-4-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3H-pyran-6-carboxamide Traditional Name: 4-keto-N,2,2-trimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3H-pyran-6-carboxamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C=C(O1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C=C(O1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H30N2O3/c1-22(2)15-19(25)14-20(27-22)21(26)23(3)18-10-7-12-24(16-18)13-11-17-8-5-4-6-9-17/h4-6,8-9,14,18H,7,10-13,15-16H2,1-3H3/p+1/t18-/m0/s1