[(4R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanylidene-azepan-4-yl]-cyclooctyl-azanium

Systemtic Name: [(4R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanylidene-azepan-4-yl]-cyclooctyl-azanium Openeye Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-azepan-4-yl]-cyclooctyl-ammonium CAS Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-4-azepanyl]-cyclooctylammonium IUPAC Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxoazepan-4-yl]-cyclooctylazanium Traditional Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-keto-azepan-4-yl]-cyclooctyl-ammonium Formula: C22H32ClN2O3+ MolecularWeight: 407.95408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1CCCC(CCC1)[NH2+][C@@H]2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H31ClN2O3/c23-19-13-21-20(27-15-28-21)12-16(19)14-25-11-10-18(8-9-22(25)26)24-17-6-4-2-1-3-5-7-17/h12-13,17-18,24H,1-11,14-15H2/p+1/t18-/m1/s1