1-adamantyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[1-(4-cyanophenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]ammonium Formula: C22H26N3+ MolecularWeight: 332.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=CN4C5=CC=C(C=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=CN4C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H25N3/c23-14-16-3-5-20(6-4-16)25-7-1-2-21(25)15-24-22-11-17-8-18(12-22)10-19(9-17)13-22/h1-7,17-19,24H,8-13,15H2/p+1