1-(azulen-1-ylmethyl)-4-(4-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-(azulen-1-ylmethyl)-4-(4-fluorophenyl)piperazin-1-ium Openeye Name: 1-(azulen-1-ylmethyl)-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-(1-azulenylmethyl)-4-(4-fluorophenyl)piperazin-1-ium IUPAC Name: 1-(azulen-1-ylmethyl)-4-(4-fluorophenyl)piperazin-1-ium Traditional Name: 1-(azulen-1-ylmethyl)-4-(4-fluorophenyl)piperazin-1-ium Formula: C21H22FN2+ MolecularWeight: 321.411183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=CC=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=CC=C3C=C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2/c22-19-8-10-20(11-9-19)24-14-12-23(13-15-24)16-18-7-6-17-4-2-1-3-5-21(17)18/h1-11H,12-16H2/p+1