(6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,4'-cyclohexane]-1'-yl)-[4-[(7-chloranylquinolin-4-yl)amino]butyl]azanium

Systemtic Name: (6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,4'-cyclohexane]-1'-yl)-[4-[(7-chloranylquinolin-4-yl)amino]butyl]azanium Openeye Name: (6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,4'-cyclohexane]-1'-yl)-[4-[(7-chloro-4-quinolyl)amino]butyl]ammonium CAS Name: (6,7a-diphenyl-1'-spiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxin-3,4'-cyclohexane]yl)-[4-[(7-chloro-4-quinolinyl)amino]butyl]ammonium IUPAC Name: (6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,4'-cyclohexane]-1'-yl)-[4-[(7-chloroquinolin-4-yl)amino]butyl]azanium Traditional Name: (6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxin-3,4'-cyclohexane]-1'-yl)-[4-[(7-chloro-4-quinolyl)amino]butyl]ammonium Formula: C36H39ClN3O3+ MolecularWeight: 597.16616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1[NH2+]CCCCNC3=C4C=CC(=CC4=NC=C3)Cl)OC5C=C(CC5(OO2)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CC2(CCC1[NH2+]CCCCNC3=C4C=CC(=CC4=NC=C3)Cl)OC5C=C(CC5(OO2)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C36H38ClN3O3/c37-29-13-14-31-32(17-22-40-33(31)24-29)39-21-8-7-20-38-30-15-18-35(19-16-30)41-34-23-27(26-9-3-1-4-10-26)25-36(34,43-42-35)28-11-5-2-6-12-28/h1-6,9-14,17,22-24,30,34,38H,7-8,15-16,18-21,25H2,(H,39,40)/p+1