3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4,7-dimethyl-2-oxo-chromen-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C27H33N2O3+ MolecularWeight: 433.56252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C27H32N2O3/c1-19-6-11-23-20(2)24(27(31)32-25(23)16-19)12-13-26(30)28-17-21-7-9-22(10-8-21)18-29-14-4-3-5-15-29/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H,28,30)/p+1