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

Systemtic Name: 1-adamantyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium Formula: C22H29N2+ MolecularWeight: 321.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N2/c1-16-4-2-5-20(8-16)24-7-3-6-21(24)15-23-22-12-17-9-18(13-22)11-19(10-17)14-22/h2-8,17-19,23H,9-15H2,1H3/p+1