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

Systemtic Name: tert-butyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium Openeye Name: tert-butyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]ammonium CAS Name: tert-butyl-[[1-(4-cyanophenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: tert-butyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium Traditional Name: tert-butyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]ammonium Formula: C16H20N3+ MolecularWeight: 254.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=CC=CN1C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)[NH2+]CC1=CC=CN1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19N3/c1-16(2,3)18-12-15-5-4-10-19(15)14-8-6-13(11-17)7-9-14/h4-10,18H,12H2,1-3H3/p+1