3-methyl-4-oxidanylidene-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)chromene-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)chromene-8-carboxamide Openeye Name: 3-methyl-4-oxo-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)chromene-8-carboxamide CAS Name: 3-methyl-4-oxo-2-phenyl-N-[3-(1-piperidin-1-iumyl)propyl]-1-benzopyran-8-carboxamide IUPAC Name: 3-methyl-4-oxo-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)chromene-8-carboxamide Traditional Name: 4-keto-3-methyl-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)chromene-8-carboxamide Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCC[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCC[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c1-18-22(28)20-12-8-13-21(24(20)30-23(18)19-10-4-2-5-11-19)25(29)26-14-9-17-27-15-6-3-7-16-27/h2,4-5,8,10-13H,3,6-7,9,14-17H2,1H3,(H,26,29)/p+1