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

Systemtic Name: cyclooctyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]azanium Traditional Name: [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-cyclooctyl-ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-12-16(18(22)23-3)13(2)20-17(12)15(21)11-19-14-9-7-5-4-6-8-10-14/h14,19-20H,4-11H2,1-3H3/p+1