2-[2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-[2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[2-[(2R)-2-(2-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[2-keto-2-[(2R)-2-(2-methoxyphenyl)pyrrolidino]ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCCN2C(=O)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=CC=C1[C@H]2CCCN2C(=O)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4

InChI

InChI=1S/C21H27N5O3/c1-29-19-7-3-2-5-17(19)18-6-4-10-25(18)21(28)15-26-20(27)13-16(14-23-26)24-11-8-22-9-12-24/h2-3,5,7,13-14,18,22H,4,6,8-12,15H2,1H3/p+1/t18-/m1/s1