2-methyl-5-[4-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 5-[4-[(3S)-1-benzylpyrrolidin-3-yl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 2-methyl-5-[4-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 5-[4-[(3S)-1-benzylpyrrolidin-3-yl]piperazin-4-ium-1-yl]-2-methylpyridazin-3-one Traditional Name: 5-[4-[(3S)-1-benzylpyrrolidin-3-yl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)C3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)[C@H]3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N5O/c1-22-20(26)13-19(14-21-22)25-11-9-24(10-12-25)18-7-8-23(16-18)15-17-5-3-2-4-6-17/h2-6,13-14,18H,7-12,15-16H2,1H3/p+1/t18-/m0/s1