isoquinolin-5-ylmethyl-methyl-[(1R,2R)-2-oxidanylspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-methyl-[(1R,2R)-2-oxidanylspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]azanium Openeye Name: [(1R,2R)-2-hydroxyspiro[indane-3,4'-piperidin-1-ium]-1-yl]-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [(1R,2R)-2-hydroxy-1-spiro[1,2-dihydroindene-3,4'-piperidin-1-ium]yl]-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [(1R,2R)-2-hydroxyspiro[indane-3,4'-piperidin-1-ium]-1-yl]-(5-isoquinolylmethyl)-methyl-ammonium Formula: C24H29N3O+2 MolecularWeight: 375.50656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC2=C1C=CN=C2)C3C(C4(CC[NH2+]CC4)C5=CC=CC=C35)O

Isomeric SMILES

C[NH+](CC1=CC=CC2=C1C=CN=C2)[C@H]3[C@@H](C4(CC[NH2+]CC4)C5=CC=CC=C35)O

InChI

InChI=1S/C24H27N3O/c1-27(16-18-6-4-5-17-15-26-12-9-19(17)18)22-20-7-2-3-8-21(20)24(23(22)28)10-13-25-14-11-24/h2-9,12,15,22-23,25,28H,10-11,13-14,16H2,1H3/p+2/t22-,23+/m1/s1