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

Systemtic Name: 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanamide CAS Name: 3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionamide Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-18-22-9-8-21(31-2)16-24(22)32-26(30)23(18)10-11-25(29)27-20-12-14-28(15-13-20)17-19-6-4-3-5-7-19/h3-9,16,20H,10-15,17H2,1-2H3,(H,27,29)/p+1