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

Systemtic Name: [(4R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanylidene-azepan-4-yl]-cyclohexyl-azanium Openeye Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-azepan-4-yl]-cyclohexyl-ammonium CAS Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-4-azepanyl]-cyclohexylammonium IUPAC Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxoazepan-4-yl]-cyclohexylazanium Traditional Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-keto-azepan-4-yl]-cyclohexyl-ammonium Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1CCC(CC1)[NH2+][C@@H]2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H27ClN2O3/c21-17-11-19-18(25-13-26-19)10-14(17)12-23-9-8-16(6-7-20(23)24)22-15-4-2-1-3-5-15/h10-11,15-16,22H,1-9,12-13H2/p+1/t16-/m1/s1