3-methyl-4-oxidanylidene-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)chromene-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)chromene-8-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-4-oxo-2-phenyl-chromene-8-carboxamide CAS Name: 3-methyl-4-oxo-2-phenyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-1-benzopyran-8-carboxamide IUPAC Name: 3-methyl-4-oxo-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)chromene-8-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-4-keto-3-methyl-2-phenyl-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)NC3CC[NH+](CC3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3CC[NH+](CC3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c1-16(2)27-14-12-19(13-15-27)26-25(29)21-11-7-10-20-22(28)17(3)23(30-24(20)21)18-8-5-4-6-9-18/h4-11,16,19H,12-15H2,1-3H3,(H,26,29)/p+1