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

Systemtic Name: 1-adamantyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]ammonium Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N2O3/c1-11-17(19(24)25-3)12(2)22-18(11)16(23)10-21-20-7-13-4-14(8-20)6-15(5-13)9-20/h13-15,21-22H,4-10H2,1-3H3/p+1