7-methyl-4-[2-[(3R)-3-morpholin-4-ium-4-ylpiperidin-1-yl]-2-oxidanylidene-ethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[2-[(3R)-3-morpholin-4-ium-4-ylpiperidin-1-yl]-2-oxidanylidene-ethyl]chromen-2-one Openeye Name: 7-methyl-4-[2-[(3R)-3-morpholin-4-ium-4-yl-1-piperidyl]-2-oxo-ethyl]chromen-2-one CAS Name: 7-methyl-4-[2-[(3R)-3-(4-morpholin-4-iumyl)-1-piperidinyl]-2-oxoethyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[2-[(3R)-3-morpholin-4-ium-4-ylpiperidin-1-yl]-2-oxoethyl]chromen-2-one Traditional Name: 4-[2-keto-2-[(3R)-3-morpholin-4-ium-4-ylpiperidino]ethyl]-7-methyl-coumarin Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCCC(C3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCC[C@H](C3)[NH+]4CCOCC4

InChI

InChI=1S/C21H26N2O4/c1-15-4-5-18-16(13-21(25)27-19(18)11-15)12-20(24)23-6-2-3-17(14-23)22-7-9-26-10-8-22/h4-5,11,13,17H,2-3,6-10,12,14H2,1H3/p+1/t17-/m1/s1