3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-pyridin-4-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-pyridin-4-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-pyridin-4-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-6-methyl-4-pyridinone IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methylpyridin-4-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-pyridone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2CCC[NH+]2CC)C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=C(C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H33N3O2/c1-4-22-24(25(30)27-14-12-19-9-6-7-10-20(19)16-27)23(29)15-18(3)28(22)17-21-11-8-13-26(21)5-2/h6-7,9-10,15,21H,4-5,8,11-14,16-17H2,1-3H3/p+1/t21-/m0/s1