N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1-benzofuran-2-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzofuran-2-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1-benzofuran-2-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]coumarilamide Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H28N2O2/c1-25(24(27)23-17-20-12-5-6-14-22(20)28-23)21-13-8-16-26(18-21)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,12,14,17,21H,7-8,11,13,15-16,18H2,1H3/p+1/t21-/m0/s1