6-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]carbonyl-chromen-4-one Openeye Name: 6-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carbonyl]chromen-4-one CAS Name: 6-methyl-2-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carbonyl]chromen-4-one Traditional Name: 6-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-1-carbonyl]chromone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCC(CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCC(CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C22H28N2O3/c1-16-4-5-20-18(14-16)19(25)15-21(27-20)22(26)24-12-7-17(8-13-24)6-11-23-9-2-3-10-23/h4-5,14-15,17H,2-3,6-13H2,1H3/p+1