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

Systemtic Name: 1-[(1R,2R)-2-oxidanylspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]azepan-2-one Openeye Name: 1-[(1R,2R)-2-hydroxyspiro[indane-3,4'-piperidin-1-ium]-1-yl]azepan-2-one CAS Name: 1-[(1R,2R)-2-hydroxy-1-spiro[1,2-dihydroindene-3,4'-piperidin-1-ium]yl]-2-azepanone IUPAC Name: 1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]azepan-2-one Traditional Name: 1-[(1R,2R)-2-hydroxyspiro[indane-3,4'-piperidin-1-ium]-1-yl]azepan-2-one Formula: C19H27N2O2+ MolecularWeight: 315.42988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)C2C(C3(CC[NH2+]CC3)C4=CC=CC=C24)O

Isomeric SMILES

C1CCC(=O)N(CC1)[C@H]2[C@@H](C3(CC[NH2+]CC3)C4=CC=CC=C24)O

InChI

InChI=1S/C19H26N2O2/c22-16-8-2-1-5-13-21(16)17-14-6-3-4-7-15(14)19(18(17)23)9-11-20-12-10-19/h3-4,6-7,17-18,20,23H,1-2,5,8-13H2/p+1/t17-,18+/m1/s1