2-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetamide CAS Name: 2-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-keto-7-methoxy-4-methyl-chromen-3-yl)acetamide Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-17-21-9-8-20(30-2)14-23(21)31-25(29)22(17)15-24(28)26-19-10-12-27(13-11-19)16-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,26,28)/p+1