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

Systemtic Name: [(4R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanylidene-azepan-4-yl]-cyclohexyl-methyl-azanium Openeye Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-azepan-4-yl]-cyclohexyl-methyl-ammonium CAS Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-4-azepanyl]-cyclohexyl-methylammonium IUPAC Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxoazepan-4-yl]-cyclohexyl-methylazanium Traditional Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-keto-azepan-4-yl]-cyclohexyl-methyl-ammonium Formula: C21H30ClN2O3+ MolecularWeight: 393.9275

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C[NH+]([C@@H]1CCC(=O)N(CC1)CC2=CC3=C(C=C2Cl)OCO3)C4CCCCC4

InChI

InChI=1S/C21H29ClN2O3/c1-23(16-5-3-2-4-6-16)17-7-8-21(25)24(10-9-17)13-15-11-19-20(12-18(15)22)27-14-26-19/h11-12,16-17H,2-10,13-14H2,1H3/p+1/t17-/m1/s1