2-methyl-5-[4-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethanoyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethanoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]acetyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[1-oxo-2-[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]ethyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]acetyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]acetyl]piperazino]pyridazin-3-one Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)C[NH+]3CCC(C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)C[NH+]3CC[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2/c1-23-20(27)13-19(14-22-23)25-9-11-26(12-10-25)21(28)16-24-8-7-18(15-24)17-5-3-2-4-6-17/h2-6,13-14,18H,7-12,15-16H2,1H3/p+1/t18-/m0/s1