1-adamantyl-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=NC=C(C=C1)N2C=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O/c1-25-20-5-4-19(13-22-20)24-6-2-3-18(24)14-23-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,13,15-17,23H,7-12,14H2,1H3/p+1