1-adamantylmethyl-methyl-[(4R)-7-oxidanylidene-1-prop-2-enyl-azepan-4-yl]azanium

Systemtic Name: 1-adamantylmethyl-methyl-[(4R)-7-oxidanylidene-1-prop-2-enyl-azepan-4-yl]azanium Openeye Name: 1-adamantylmethyl-[(4R)-1-allyl-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-methyl-[(4R)-7-oxo-1-prop-2-enyl-4-azepanyl]ammonium IUPAC Name: 1-adamantylmethyl-methyl-[(4R)-7-oxo-1-prop-2-enylazepan-4-yl]azanium Traditional Name: 1-adamantylmethyl-[(4R)-1-allyl-7-keto-azepan-4-yl]-methyl-ammonium Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O/c1-3-7-23-8-6-19(4-5-20(23)24)22(2)15-21-12-16-9-17(13-21)11-18(10-16)14-21/h3,16-19H,1,4-15H2,2H3/p+1/t16?,17?,18?,19-,21?/m1/s1