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

Systemtic Name: 1-adamantylmethyl-[(4R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-4-azepanyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: 1-adamantylmethyl-[(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-keto-azepan-4-yl]-methyl-ammonium Formula: C26H36ClN2O3+ MolecularWeight: 460.02864

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC12CC3CC(C1)CC(C3)C2)C4CCC(=O)N(CC4)CC5=CC6=C(C=C5Cl)OCO6

Isomeric SMILES

C[NH+](CC12CC3CC(C1)CC(C3)C2)[C@@H]4CCC(=O)N(CC4)CC5=CC6=C(C=C5Cl)OCO6

InChI

InChI=1S/C26H35ClN2O3/c1-28(15-26-11-17-6-18(12-26)8-19(7-17)13-26)21-2-3-25(30)29(5-4-21)14-20-9-23-24(10-22(20)27)32-16-31-23/h9-10,17-19,21H,2-8,11-16H2,1H3/p+1/t17?,18?,19?,21-,26?/m1/s1