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5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridazin-3-one

5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridazin-3-one

Systemtic Name:5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridazin-3-one
Openeye Name:5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridazin-3-one
CAS Name:5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridazinone
IUPAC Name:5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridazin-3-one
Traditional Name:5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridazin-3-one
Formula: C21H29N4O+
MolecularWeight: 353.48116
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCN2C(=O)C=C(C=N2)N3CCC4=CC=CC=C4C3


Isomeric SMILES

C[NH+]1CCCC[C@H]1CCN2C(=O)C=C(C=N2)N3CCC4=CC=CC=C4C3


InChI

InChI=1S/C21H28N4O/c1-23-11-5-4-8-19(23)10-13-25-21(26)14-20(15-22-25)24-12-9-17-6-2-3-7-18(17)16-24/h2-3,6-7,14-15,19H,4-5,8-13,16H2,1H3/p+1/t19-/m0/s1


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