5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-[2-(4-methyl-1-piperidyl)-2-oxo-ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-[2-keto-2-(4-methylpiperidino)ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCN(CC1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O4/c1-17-6-10-25(11-7-17)23(27)16-29-22-15-28-20(12-21(22)26)14-24-9-8-18-4-2-3-5-19(18)13-24/h2-5,12,15,17H,6-11,13-14,16H2,1H3/p+1