(2S)-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCC3C(=O)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC[C@H]3C(=O)N)C(C)C

InChI

InChI=1S/C20H26N2O3/c1-12(2)15-10-16-14(9-19(23)25-18(16)8-13(15)3)11-22-7-5-4-6-17(22)20(21)24/h8-10,12,17H,4-7,11H2,1-3H3,(H2,21,24)/p+1/t17-/m0/s1