2-methyl-5-[4-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-oxomethyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperazino]pyridazin-3-one Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=CC(=O)N(N=C4)C

Isomeric SMILES

C[NH+]1CC2=CC=CC=C2C[C@H]1C(=O)N3CCN(CC3)C4=CC(=O)N(N=C4)C

InChI

InChI=1S/C20H25N5O2/c1-22-14-16-6-4-3-5-15(16)11-18(22)20(27)25-9-7-24(8-10-25)17-12-19(26)23(2)21-13-17/h3-6,12-13,18H,7-11,14H2,1-2H3/p+1/t18-/m0/s1