3-[[(3S,4S)-3-oxidanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3S,4S)-3-oxidanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S,4S)-3-hydroxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3S,4S)-3-hydroxy-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S,4S)-3-hydroxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S,4S)-3-hydroxy-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-1-yl]methyl]chromone Formula: C23H28N4O3+2 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=COC4=CC=CC=C4C3=O)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=COC4=CC=CC=C4C3=O)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H26N4O3/c28-20-15-25(13-17-16-30-21-6-2-1-5-18(21)23(17)29)14-19(20)26-9-11-27(12-10-26)22-7-3-4-8-24-22/h1-8,16,19-20,28H,9-15H2/p+2/t19-,20-/m0/s1