3-[[(2S)-2-(4-phenylpiperazin-1-yl)carbonyl-6-azoniaspiro[2.5]octan-6-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(2S)-2-(4-phenylpiperazin-1-yl)carbonyl-6-azoniaspiro[2.5]octan-6-yl]methyl]chromen-4-one Openeye Name: 3-[[(2S)-2-(4-phenylpiperazine-1-carbonyl)-6-azoniaspiro[2.5]octan-6-yl]methyl]chromen-4-one CAS Name: 3-[[(2S)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6-azoniaspiro[2.5]octan-6-yl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(2S)-2-(4-phenylpiperazine-1-carbonyl)-6-azoniaspiro[2.5]octan-6-yl]methyl]chromen-4-one Traditional Name: 3-[[(2S)-2-(4-phenylpiperazine-1-carbonyl)-6-azoniaspiro[2.5]octan-6-yl]methyl]chromone Formula: C28H32N3O3+ MolecularWeight: 458.57198

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12CC2C(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=COC6=CC=CC=C6C5=O

Isomeric SMILES

C1C[NH+](CCC12C[C@@H]2C(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=COC6=CC=CC=C6C5=O

InChI

InChI=1S/C28H31N3O3/c32-26-21(20-34-25-9-5-4-8-23(25)26)19-29-12-10-28(11-13-29)18-24(28)27(33)31-16-14-30(15-17-31)22-6-2-1-3-7-22/h1-9,20,24H,10-19H2/p+1/t24-/m1/s1