1-butyl-4-[(1R,2R)-2-oxidanylspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]piperazin-4-ium-2-one

Systemtic Name: 1-butyl-4-[(1R,2R)-2-oxidanylspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]piperazin-4-ium-2-one Openeye Name: 1-butyl-4-[(1R,2R)-2-hydroxyspiro[indane-3,4'-piperidin-1-ium]-1-yl]piperazin-4-ium-2-one CAS Name: 1-butyl-4-[(1R,2R)-2-hydroxy-1-spiro[1,2-dihydroindene-3,4'-piperidin-1-ium]yl]-2-piperazin-4-iumone IUPAC Name: 1-butyl-4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]piperazin-4-ium-2-one Traditional Name: 1-butyl-4-[(1R,2R)-2-hydroxyspiro[indane-3,4'-piperidin-1-ium]-1-yl]piperazin-4-ium-2-one Formula: C21H33N3O2+2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[NH+](CC1=O)C2C(C3(CC[NH2+]CC3)C4=CC=CC=C24)O

Isomeric SMILES

CCCCN1CC[NH+](CC1=O)[C@H]2[C@@H](C3(CC[NH2+]CC3)C4=CC=CC=C24)O

InChI

InChI=1S/C21H31N3O2/c1-2-3-12-23-13-14-24(15-18(23)25)19-16-6-4-5-7-17(16)21(20(19)26)8-10-22-11-9-21/h4-7,19-20,22,26H,2-3,8-15H2,1H3/p+2/t19-,20+/m1/s1