4-[3-(4-aminophenyl)-1-azoniabicyclo[2.2.2]octan-3-yl]aniline

Systemtic Name: 4-[3-(4-aminophenyl)-1-azoniabicyclo[2.2.2]octan-3-yl]aniline Openeye Name: 4-[3-(4-aminophenyl)quinuclidin-1-ium-3-yl]aniline CAS Name: 4-[3-(4-aminophenyl)-1-azoniabicyclo[2.2.2]octan-3-yl]aniline IUPAC Name: 4-[3-(4-aminophenyl)-1-azoniabicyclo[2.2.2]octan-3-yl]aniline Traditional Name: [4-[3-(4-aminophenyl)quinuclidin-1-ium-3-yl]phenyl]amine Formula: C19H24N3+ MolecularWeight: 294.41396

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N

Isomeric SMILES

C1C[NH+]2CCC1C(C2)(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N

InChI

InChI=1S/C19H23N3/c20-17-5-1-14(2-6-17)19(15-3-7-18(21)8-4-15)13-22-11-9-16(19)10-12-22/h1-8,16H,9-13,20-21H2/p+1