cyclooctyl-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-cyclooctyl-ammonium Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH2+]C2CCCCCCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH2+]C2CCCCCCC2

InChI

InChI=1S/C18H28N2O2/c1-12-17(14(3)21)13(2)20-18(12)16(22)11-19-15-9-7-5-4-6-8-10-15/h15,19-20H,4-11H2,1-3H3/p+1